N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine

C13H13ClN6 — CID 90176679

IUPACN-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine
SMILESCC(C)c1nc(Nc2ccnc(Cl)n2)cc2[nH]cnc12
InChIInChI=1S/C13H13ClN6/c1-7(2)11-12-8(16-6-17-12)5-10(19-11)18-9-3-4-15-13(14)20-9/h3-7H,1-2H3,(H,16,17)(H,15,18,19,20)
InChIKeyFZDCLLJPWOCIBO-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.27
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine

N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine (PubChem CID 90176679) has the molecular formula C13H13ClN6 and a molecular weight of 288.74 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine
PubChem CID90176679
Molecular FormulaC13H13ClN6
Molecular Weight288.74 g/mol
Exact Mass288.09
IUPAC NameN-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine
SMILESCC(C)c1nc(Nc2ccnc(Cl)n2)cc2[nH]cnc12
InChIInChI=1S/C13H13ClN6/c1-7(2)11-12-8(16-6-17-12)5-10(19-11)18-9-3-4-15-13(14)20-9/h3-7H,1-2H3,(H,16,17)(H,15,18,19,20)
InChIKeyFZDCLLJPWOCIBO-UHFFFAOYSA-N
XLogP3.27
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Glu-P 2
CID 49970
Glu-P 1
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5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
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CID 10421577

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine (CID 90176679) is N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine is CC(C)c1nc(Nc2ccnc(Cl)n2)cc2[nH]cnc12.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine?
The InChIKey is FZDCLLJPWOCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6/c1-7(2)11-12-8(16-6-17-12)5-10(19-11)18-9-3-4-15-13(14)20-9/h3-7H,1-2H3,(H,16,17)(H,15,18,19,20).
What are the key properties of N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine?
N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine has a molecular weight of 288.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-4-propan-2-yl-1H-imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90176679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).