1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one

C127H176N26O19 — CID 158119568

IUPAC1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CC(C)CC(=O)Cc1cnc(=O)[nH]c1.CC(C)CC(=O)Cc1cnc[nH]c1=O.CC(C)CC(=O)Cc1cncnc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C.COc1nccc(CC(=O)CC(C)C)n1.[C-]#[N+]c1ncc(CC(=O)CC(C)C)cn1.[C-]#[N+]c1nccc(CC(=O)CC(C)C)n1
InChIInChI=1S/2C11H13N3O.5C11H16N2O2.2C10H14N2O2.3C10H14N2O/c1-8(2)4-10(15)5-9-6-13-11(12-3)14-7-9;1-8(2)6-10(15)7-9-4-5-13-11(12-3)14-9;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-12-11(13-9)15-3;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-7(2)3-9(13)4-8-5-11-6-12-10(8)14;1-7(2)3-9(13)4-8-5-11-10(14)12-6-8;1-8(2)3-10(13)4-9-5-11-7-12-6-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h6-8H,4-5H2,1-2H3;4-5,8H,6-7H2,1-2H3;3*6-8H,4-5H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;2*5-7H,3-4H2,1-2H3,(H,11,12,14);5-8H,3-4H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyFRLAJDLFLZSETL-UHFFFAOYSA-N
MW2370.97 g/mol
LogP19.34
Rot. Bonds53

About 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one

1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one (PubChem CID 158119568) has the molecular formula C127H176N26O19 and a molecular weight of 2370.97 g/mol. Its IUPAC name is 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one.

Molecular Properties

Compound Name1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
PubChem CID158119568
Molecular FormulaC127H176N26O19
Molecular Weight2370.97 g/mol
Exact Mass2369.36
IUPAC Name1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CC(C)CC(=O)Cc1cnc(=O)[nH]c1.CC(C)CC(=O)Cc1cnc[nH]c1=O.CC(C)CC(=O)Cc1cncnc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C.COc1nccc(CC(=O)CC(C)C)n1.[C-]#[N+]c1ncc(CC(=O)CC(C)C)cn1.[C-]#[N+]c1nccc(CC(=O)CC(C)C)n1
InChIInChI=1S/2C11H13N3O.5C11H16N2O2.2C10H14N2O2.3C10H14N2O/c1-8(2)4-10(15)5-9-6-13-11(12-3)14-7-9;1-8(2)6-10(15)7-9-4-5-13-11(12-3)14-9;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-12-11(13-9)15-3;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-7(2)3-9(13)4-8-5-11-6-12-10(8)14;1-7(2)3-9(13)4-8-5-11-10(14)12-6-8;1-8(2)3-10(13)4-9-5-11-7-12-6-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h6-8H,4-5H2,1-2H3;4-5,8H,6-7H2,1-2H3;3*6-8H,4-5H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;2*5-7H,3-4H2,1-2H3,(H,11,12,14);5-8H,3-4H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyFRLAJDLFLZSETL-UHFFFAOYSA-N
XLogP19.34
TPSA609.01 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds53
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002370.97
LogP ≤ 519.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 157112565
3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine
CID 157339215
1,3-Benzoxazin-4-one;pyrano[2,3-b]pyrazin-8-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one;pyrano[2,3-d]pyrimidin-5-one;pyrido[3,2-e][1,3]oxazin-4-one
CID 157464442
N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(6-methoxypyridazin-3-yl)-4-methylpentanamide;N-(2-methoxy-4-pyridinyl)-4-methylpentanamide;N-(3-methoxy-4-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pentanamide;4-methyl-N-pyridazin-3-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide;4-methyl-N-pyridin-4-ylpentanamide;4-methyl-N-pyrimidin-2-ylpentanamide
CID 157701807
3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(4-methylpyridazin-3-yl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine
CID 157751721
Methane;pyrano[2,3-b]pyrazin-8-one;pyrano[3,2-c]pyridazin-8-one;pyrano[3,2-d]pyrimidin-8-one;pyrano[3,2-e][1,2,4]triazin-5-one;pyrazino[2,3-e][1,3]oxazin-4-one;pyridazino[4,3-e][1,3]oxazin-5-one;pyrido[2,3-e][1,3]oxazin-4-one;pyrido[4,3-e][1,3]oxazin-4-one;pyrimido[4,5-e][1,3]oxazin-4-one
CID 157798628
Pyrano[2,3-b]pyrazin-8-one;pyrano[3,2-c]pyridazin-8-one;pyrano[2,3-d]pyrimidin-5-one;pyrano[3,2-d]pyrimidin-8-one;pyrido[3,2-e][1,3]oxazin-4-one;pyrido[4,3-e][1,3]oxazin-4-one
CID 157887262
1-(5-hydroxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;N-[6-(4-methyl-2-oxopentyl)-3-pyridinyl]formamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
CID 158489978
1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(4-isocyanopyrimidin-2-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(6-methoxypyrimidin-4-yl)-4-methylpentan-2-one;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;4-(4-methyl-2-oxopentyl)pyrimidine-5-carbonitrile;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 158602561
1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
CID 158706019
2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butylpyridazine;4-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;5-tert-butylpyrimidine
CID 159451608
N-(2-isocyanopyrimidin-4-yl)-3-methylbutanamide;N-(2-isocyanopyrimidin-5-yl)-3-methylbutanamide;N-(5-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyrazin-2-yl)-3-methylbutanamide;N-(6-methoxypyridazin-3-yl)-3-methylbutanamide;N-(5-methoxypyrimidin-4-yl)-3-methylbutanamide;2-(3-methylbutanoylamino)pyridine-4-carboxamide;[6-(3-methylbutanoylamino)-2-pyridinyl]methyl formate;[6-(3-methylbutanoylamino)-3-pyridinyl]methyl formate;methyl 2-(3-methylbutanoylamino)pyridine-3-carboxylate;methyl 2-(3-methylbutanoylamino)pyridine-4-carboxylate;3-methyl-N-(2-oxo-1H-pyrimidin-5-yl)butanamide;3-methyl-N-pyridazin-3-ylbutanamide;3-methyl-N-pyridazin-4-ylbutanamide;3-methyl-N-pyrimidin-5-ylbutanamide
CID 159862922

Frequently Asked Questions

What is the IUPAC name of 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one?
The IUPAC name of 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one (CID 158119568) is 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one.
What is the SMILES notation for 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one?
The canonical SMILES for 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one is CC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CC(C)CC(=O)Cc1cnc(=O)[nH]c1.CC(C)CC(=O)Cc1cnc[nH]c1=O.CC(C)CC(=O)Cc1cncnc1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C.COc1nccc(CC(=O)CC(C)C)n1.[C-]#[N+]c1ncc(CC(=O)CC(C)C)cn1.[C-]#[N+]c1nccc(CC(=O)CC(C)C)n1.
What is the InChIKey of 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one?
The InChIKey is FRLAJDLFLZSETL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13N3O.5C11H16N2O2.2C10H14N2O2.3C10H14N2O/c1-8(2)4-10(15)5-9-6-13-11(12-3)14-7-9;1-8(2)6-10(15)7-9-4-5-13-11(12-3)14-9;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-12-11(13-9)15-3;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-7(2)3-9(13)4-8-5-11-6-12-10(8)14;1-7(2)3-9(13)4-8-5-11-10(14)12-6-8;1-8(2)3-10(13)4-9-5-11-7-12-6-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h6-8H,4-5H2,1-2H3;4-5,8H,6-7H2,1-2H3;3*6-8H,4-5H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;2*5-7H,3-4H2,1-2H3,(H,11,12,14);5-8H,3-4H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one?
1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one has a molecular weight of 2370.97 g/mol, XLogP of 19.34, 53 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-isocyanopyrimidin-4-yl)-4-methylpentan-2-one;1-(2-isocyanopyrimidin-5-yl)-4-methylpentan-2-one;1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(2-methoxypyrimidin-4-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-2-one;5-(4-methyl-2-oxopentyl)-1H-pyrimidin-6-one;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one;4-methyl-1-pyrimidin-5-ylpentan-2-one is sourced from PubChem (CID 158119568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).