N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine

C58H96N12O2S — CID 159011007

IUPACN-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1cscn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C9H13N.2C8H12N2.C8H14N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)6-8-4-5-9-10(8)3;1-6(2)7-3-8-5-9-4-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3/h3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyJSMGOMSPBHXNNT-UHFFFAOYSA-N
MW1025.55 g/mol
LogP14.60
Rot. Bonds14

About N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine

N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine (PubChem CID 159011007) has the molecular formula C58H96N12O2S and a molecular weight of 1025.55 g/mol. Its IUPAC name is N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine.

Molecular Properties

Compound NameN-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine
PubChem CID159011007
Molecular FormulaC58H96N12O2S
Molecular Weight1025.55 g/mol
Exact Mass1024.75
IUPAC NameN-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1cscn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C9H13N.2C8H12N2.C8H14N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)6-8-4-5-9-10(8)3;1-6(2)7-3-8-5-9-4-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3/h3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyJSMGOMSPBHXNNT-UHFFFAOYSA-N
XLogP14.60
TPSA164.12 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.55
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine with MolForge

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Related Compounds

4-(3-Fluoro-2-pyridinyl)-5-[(4-propyl-6-pyrimidin-5-ylpyridazin-3-yl)methyl]-1,3-thiazole
CID 59759776
6-(2-Fluoro-4-methylsulfanylphenyl)-2-[1-[1-[5-[5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]hexyl]pyrimidin-2-yl]piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazole
CID 131999192
2,4-Dimethyl-6-propan-2-ylpyridine;3-ethyl-1-methylpyrazole;5-fluoro-2-propan-2-ylpyridine;methane;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159421158
4-[[2-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole
CID 168264034
2-[[2-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole
CID 168264450
5-(4-Pyridazin-3-ylpyrimidin-2-yl)-4-[2-[3-thiophen-2-yl-5-(1,3,5-triazin-2-yl)pyrazin-2-yl]-1,3-thiazol-4-yl]thiadiazole
CID 54304309
5-[2-(2,5-Dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416010
4-Methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
CID 58416032
5-[2-(1,5-Dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416106
4-Methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
CID 58416111
4-Methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
CID 58416164
4-(3-Isocyano-2-pyridinyl)-5-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 59759781

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine?
The IUPAC name of N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine (CID 159011007) is N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine.
What is the SMILES notation for N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine?
The canonical SMILES for N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine is CC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1cscn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.
What is the InChIKey of N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine?
The InChIKey is JSMGOMSPBHXNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C8H12N2.C8H14N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)6-8-4-5-9-10(8)3;1-6(2)7-3-8-5-9-4-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3/h3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3.
What are the key properties of N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine?
N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine has a molecular weight of 1025.55 g/mol, XLogP of 14.60, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine is sourced from PubChem (CID 159011007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).