N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

C18H24N4 — CID 117211827

IUPACN'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccccc1-c1nc(C2CCCC2)ncc1NCCN
InChIInChI=1S/C18H24N4/c1-13-6-2-5-9-15(13)17-16(20-11-10-19)12-21-18(22-17)14-7-3-4-8-14/h2,5-6,9,12,14,20H,3-4,7-8,10-11,19H2,1H3
InChIKeyKMBXBPKBFULRBW-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.48
Rot. Bonds5

About N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211827) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211827
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccccc1-c1nc(C2CCCC2)ncc1NCCN
InChIInChI=1S/C18H24N4/c1-13-6-2-5-9-15(13)17-16(20-11-10-19)12-21-18(22-17)14-7-3-4-8-14/h2,5-6,9,12,14,20H,3-4,7-8,10-11,19H2,1H3
InChIKeyKMBXBPKBFULRBW-UHFFFAOYSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211923
N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
CID 117211581
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
N'-[4-methyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212333
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212057
N'-[2-(2-methylphenyl)-4-phenylpyrimidin-5-yl]propane-1,3-diamine
CID 117211758
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
CID 117211607
N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211524
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
CID 136934549
N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
CID 117211459

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211827) is N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is Cc1ccccc1-c1nc(C2CCCC2)ncc1NCCN.
What is the InChIKey of N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is KMBXBPKBFULRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-6-2-5-9-15(13)17-16(20-11-10-19)12-21-18(22-17)14-7-3-4-8-14/h2,5-6,9,12,14,20H,3-4,7-8,10-11,19H2,1H3.
What are the key properties of N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).