N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

C15H17ClN4 — CID 122282462

IUPACN-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCCC3)ncn2)ccc1Cl
InChIInChI=1S/C15H17ClN4/c1-11-8-12(4-5-13(11)16)19-14-9-15(18-10-17-14)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyYPALFDYRWFKCCL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.78
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 122282462) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID122282462
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC NameN-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCCC3)ncn2)ccc1Cl
InChIInChI=1S/C15H17ClN4/c1-11-8-12(4-5-13(11)16)19-14-9-15(18-10-17-14)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyYPALFDYRWFKCCL-UHFFFAOYSA-N
XLogP3.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112855770
2-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-5-amine
CID 122282312
1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one
CID 22433058
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
4-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858278
1-[4-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858450

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 122282462) is N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1cc(Nc2cc(N3CCCC3)ncn2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is YPALFDYRWFKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-11-8-12(4-5-13(11)16)19-14-9-15(18-10-17-14)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 288.78 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 122282462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).