N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine

C13H12ClN3 — CID 126516203

IUPACN-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine
SMILESClc1cccc(Nc2ncc(C3CC3)cn2)c1
InChIInChI=1S/C13H12ClN3/c14-11-2-1-3-12(6-11)17-13-15-7-10(8-16-13)9-4-5-9/h1-3,6-9H,4-5H2,(H,15,16,17)
InChIKeyFZMKTWGVFYKVDR-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.75
Rot. Bonds3

About N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine

N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine (PubChem CID 126516203) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine
PubChem CID126516203
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC NameN-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine
SMILESClc1cccc(Nc2ncc(C3CC3)cn2)c1
InChIInChI=1S/C13H12ClN3/c14-11-2-1-3-12(6-11)17-13-15-7-10(8-16-13)9-4-5-9/h1-3,6-9H,4-5H2,(H,15,16,17)
InChIKeyFZMKTWGVFYKVDR-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
5-bromo-2-N-(3-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59757961
(1R)-3-(3-chloroanilino)-4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-6-carboxylic acid
CID 163563416
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
1-[4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254682
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine (CID 126516203) is N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine is Clc1cccc(Nc2ncc(C3CC3)cn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine?
The InChIKey is FZMKTWGVFYKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-11-2-1-3-12(6-11)17-13-15-7-10(8-16-13)9-4-5-9/h1-3,6-9H,4-5H2,(H,15,16,17).
What are the key properties of N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine?
N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine has a molecular weight of 245.71 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 126516203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).