N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine

C14H12ClN5 — CID 22273498

IUPACN-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
SMILESCn1cncc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H12ClN5/c1-20-9-16-8-13(20)12-5-6-17-14(19-12)18-11-4-2-3-10(15)7-11/h2-9H,1H3,(H,17,18,19)
InChIKeyKZAAHLWKWNXCBY-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.27
Rot. Bonds3

About N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine (PubChem CID 22273498) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
PubChem CID22273498
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC NameN-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
SMILESCn1cncc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H12ClN5/c1-20-9-16-8-13(20)12-5-6-17-14(19-12)18-11-4-2-3-10(15)7-11/h2-9H,1H3,(H,17,18,19)
InChIKeyKZAAHLWKWNXCBY-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 22273481
1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 141068001
N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine
CID 57490549
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine
CID 91806914
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 174420161
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
CID 11509378

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine (CID 22273498) is N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine is Cn1cncc1-c1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
The InChIKey is KZAAHLWKWNXCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-20-9-16-8-13(20)12-5-6-17-14(19-12)18-11-4-2-3-10(15)7-11/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine has a molecular weight of 285.74 g/mol, XLogP of 3.27, 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-(3-methylimidazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 22273498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).