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

C16H19ClN4 — CID 112909339

IUPACN-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C16H19ClN4/c1-11-9-13(17)5-6-14(11)19-16-18-12(2)10-15(20-16)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyGOXDIDGRCBFOLS-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.09
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112909339) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112909339
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C16H19ClN4/c1-11-9-13(17)5-6-14(11)19-16-18-12(2)10-15(20-16)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyGOXDIDGRCBFOLS-UHFFFAOYSA-N
XLogP4.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910131
4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668
4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112910147
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321835
N-(5-chloro-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926082
1-[4-[2-(2,4-dichloroanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914949
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
4-(azepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 112926661
N-(5-chloro-2-methylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922883
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909403

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112909339) is N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is Cc1cc(N2CCCC2)nc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is GOXDIDGRCBFOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-11-9-13(17)5-6-14(11)19-16-18-12(2)10-15(20-16)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 302.81 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112909339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).