4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine

C16H20N4 — CID 155116906

IUPAC4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(-c2ncc(N)c(NC3CCCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-11-6-8-12(9-7-11)15-18-10-14(17)16(20-15)19-13-4-2-3-5-13/h6-10,13H,2-5,17H2,1H3,(H,18,19,20)
InChIKeySAWCZFGCJYISFT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.39
Rot. Bonds3

About 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine

4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 155116906) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine
PubChem CID155116906
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(-c2ncc(N)c(NC3CCCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-11-6-8-12(9-7-11)15-18-10-14(17)16(20-15)19-13-4-2-3-5-13/h6-10,13H,2-5,17H2,1H3,(H,18,19,20)
InChIKeySAWCZFGCJYISFT-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 22143475
N-cyclopropyl-2-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-4-amine
CID 117081123
4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine
CID 66799509
2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
CID 115320270
6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
CID 10546397
N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
CID 59405085
6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
CID 161461653
N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763
5-chloro-2-N-cyclopentylpyridine-2,3-diamine
CID 58171612
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
5-chloro-2-(4-chlorophenyl)-N-cyclopropylpyrimidin-4-amine;(4-chlorophenyl)boronic acid;2,5-dichloro-N-cyclopropylpyrimidin-4-amine
CID 159349554
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine (CID 155116906) is 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine is Cc1ccc(-c2ncc(N)c(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is SAWCZFGCJYISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-6-8-12(9-7-11)15-18-10-14(17)16(20-15)19-13-4-2-3-5-13/h6-10,13H,2-5,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine?
4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 155116906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).