2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine

C14H12ClN7 — CID 167765547

IUPAC2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine
SMILESCc1ccn2cc(CNc3nc(Cl)nc4nc[nH]c34)nc2c1
InChIInChI=1S/C14H12ClN7/c1-8-2-3-22-6-9(19-10(22)4-8)5-16-12-11-13(18-7-17-11)21-14(15)20-12/h2-4,6-7H,5H2,1H3,(H2,16,17,18,20,21)
InChIKeyXYUQUHFQSCGNAN-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.57
Rot. Bonds3

About 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine

2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine (PubChem CID 167765547) has the molecular formula C14H12ClN7 and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine
PubChem CID167765547
Molecular FormulaC14H12ClN7
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine
SMILESCc1ccn2cc(CNc3nc(Cl)nc4nc[nH]c34)nc2c1
InChIInChI=1S/C14H12ClN7/c1-8-2-3-22-6-9(19-10(22)4-8)5-16-12-11-13(18-7-17-11)21-14(15)20-12/h2-4,6-7H,5H2,1H3,(H2,16,17,18,20,21)
InChIKeyXYUQUHFQSCGNAN-UHFFFAOYSA-N
XLogP2.57
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine (CID 167765547) is 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine is Cc1ccn2cc(CNc3nc(Cl)nc4nc[nH]c34)nc2c1.
What is the InChIKey of 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine?
The InChIKey is XYUQUHFQSCGNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7/c1-8-2-3-22-6-9(19-10(22)4-8)5-16-12-11-13(18-7-17-11)21-14(15)20-12/h2-4,6-7H,5H2,1H3,(H2,16,17,18,20,21).
What are the key properties of 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine?
2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine has a molecular weight of 313.75 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 167765547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).