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

C49H80N10O2S — CID 157423196

IUPACN-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1cscn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C9H13N.C8H12N2.2C7H10N2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;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;4-6H,1-3H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyBPQPZASGEWFPJX-UHFFFAOYSA-N
MW873.31 g/mol
LogP12.67
Rot. Bonds12

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

N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine (PubChem CID 157423196) has the molecular formula C49H80N10O2S and a molecular weight of 873.31 g/mol. Its IUPAC name is N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound NameN-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine
PubChem CID157423196
Molecular FormulaC49H80N10O2S
Molecular Weight873.31 g/mol
Exact Mass872.62
IUPAC NameN-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1cscn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C9H13N.C8H12N2.2C7H10N2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;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;4-6H,1-3H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyBPQPZASGEWFPJX-UHFFFAOYSA-N
XLogP12.67
TPSA146.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.31
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[[2-Methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine
CID 168268160
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 145974394
2-{4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}-4-(3-pyridinyl)pyrimidine
CID 72874008
4-(2-pyridinyl)-N-{2-[2-(3-pyridinyl)-1,3-thiazol-4-yl]ethyl}-2-pyrimidinamine
CID 74236903
4-[5-(4-Fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
CID 23000511
2-(5-Fluoro-3-pyridinyl)-4-methyl-5-(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 58416019
2-(5-Fluoro-3-pyridinyl)-4-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 58416199
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
CID 58521650
2-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
CID 58521690
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole
CID 58521771
5-[2-[3-(4-Fluorophenyl)-2-pyridinyl]pyrimidin-4-yl]-2-methoxy-4-methyl-1,3-thiazole
CID 69865785
2-Pyridin-3-yl-5-(6-pyrimidin-2-ylpyridin-2-yl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole
CID 123581762

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine?
The IUPAC name of N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine (CID 157423196) is N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine.
What is the SMILES notation for N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine?
The canonical SMILES for N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine is CC(C)Cc1ccccn1.CC(C)Cc1cscn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)nc1.
What is the InChIKey of N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine?
The InChIKey is BPQPZASGEWFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H12N2.2C7H10N2.C7H11NS.C6H13NO.C5H11NO/c1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;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;4-6H,1-3H3;2*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;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine?
N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine has a molecular weight of 873.31 g/mol, XLogP of 12.67, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-propan-2-ylpyrazine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 157423196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).