N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

C18H14ClN5 — CID 6539020

IUPACN-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H14ClN5/c1-12-17(24-10-3-2-7-16(24)21-12)15-8-9-20-18(23-15)22-14-6-4-5-13(19)11-14/h2-11H,1H3,(H,20,22,23)
InChIKeyKJLKMQRZXPBHID-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.50
Rot. Bonds3

About N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 6539020) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
PubChem CID6539020
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC NameN-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H14ClN5/c1-12-17(24-10-3-2-7-16(24)21-12)15-8-9-20-18(23-15)22-14-6-4-5-13(19)11-14/h2-11H,1H3,(H,20,22,23)
InChIKeyKJLKMQRZXPBHID-UHFFFAOYSA-N
XLogP4.50
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (CID 6539020) is N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is Cc1nc2ccccn2c1-c1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is KJLKMQRZXPBHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-12-17(24-10-3-2-7-16(24)21-12)15-8-9-20-18(23-15)22-14-6-4-5-13(19)11-14/h2-11H,1H3,(H,20,22,23).
What are the key properties of N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 335.80 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).