N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine

C16H11ClN6 — CID 57490549

IUPACN-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3cnc4ncccn34)n2)c1
InChIInChI=1S/C16H11ClN6/c17-11-3-1-4-12(9-11)21-15-18-7-5-13(22-15)14-10-20-16-19-6-2-8-23(14)16/h1-10H,(H,18,21,22)
InChIKeyGSMCJLOGRHRBBZ-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.58
Rot. Bonds3

About N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine

N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine (PubChem CID 57490549) has the molecular formula C16H11ClN6 and a molecular weight of 322.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine
PubChem CID57490549
Molecular FormulaC16H11ClN6
Molecular Weight322.76 g/mol
Exact Mass322.07
IUPAC NameN-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-c3cnc4ncccn34)n2)c1
InChIInChI=1S/C16H11ClN6/c17-11-3-1-4-12(9-11)21-15-18-7-5-13(22-15)14-10-20-16-19-6-2-8-23(14)16/h1-10H,(H,18,21,22)
InChIKeyGSMCJLOGRHRBBZ-UHFFFAOYSA-N
XLogP3.58
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 22273481
N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine
CID 91806914
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
N-[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]formamide
CID 122425064
[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanol
CID 122429884
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893
4-[(4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 170987320
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine (CID 57490549) is N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine is Clc1cccc(Nc2nccc(-c3cnc4ncccn34)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine?
The InChIKey is GSMCJLOGRHRBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6/c17-11-3-1-4-12(9-11)21-15-18-7-5-13(22-15)14-10-20-16-19-6-2-8-23(14)16/h1-10H,(H,18,21,22).
What are the key properties of N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine?
N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine has a molecular weight of 322.76 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 57490549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).