N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

C15H17ClN4 — CID 112855741

IUPACN-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C15H17ClN4/c1-11-4-5-12(16)8-13(11)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)
InChIKeyYXEPKQYMHLKHKQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.78
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112855741) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112855741
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC NameN-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C15H17ClN4/c1-11-4-5-12(16)8-13(11)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)
InChIKeyYXEPKQYMHLKHKQ-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-(5-fluoro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282467
N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856447
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 112856176
N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856426
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
1-[6-(2,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192758
4-[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858305
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
4-N-(5-chloro-2-methylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854987

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112855741) is N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1ccc(Cl)cc1Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is YXEPKQYMHLKHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-11-4-5-12(16)8-13(11)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-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(5-chloro-2-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-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112855741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).