4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine

C16H19ClN4 — CID 112909893

IUPAC4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H19ClN4/c1-11-9-15(19-14-8-4-5-12(17)10-14)21-16(18-11)20-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyDCEDLUREXXXEJM-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.54
Rot. Bonds4

About 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine

4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112909893) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
PubChem CID112909893
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H19ClN4/c1-11-9-15(19-14-8-4-5-12(17)10-14)21-16(18-11)20-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyDCEDLUREXXXEJM-UHFFFAOYSA-N
XLogP4.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
N-[3-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112909921
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112910660
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907619
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
4-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194251
2-N-cyclopentyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112909930

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine (CID 112909893) is 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Cl)c2)nc(NC2CCCC2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is DCEDLUREXXXEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-11-9-15(19-14-8-4-5-12(17)10-14)21-16(18-11)20-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 302.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).