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

C17H22N4 — CID 117211923

IUPACN'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nc(C3CCC3)ncc2NCCN)cc1
InChIInChI=1S/C17H22N4/c1-12-5-7-13(8-6-12)16-15(19-10-9-18)11-20-17(21-16)14-3-2-4-14/h5-8,11,14,19H,2-4,9-10,18H2,1H3
InChIKeyGCWZZFUONJPWAL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds5

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

N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211923) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211923
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nc(C3CCC3)ncc2NCCN)cc1
InChIInChI=1S/C17H22N4/c1-12-5-7-13(8-6-12)16-15(19-10-9-18)11-20-17(21-16)14-3-2-4-14/h5-8,11,14,19H,2-4,9-10,18H2,1H3
InChIKeyGCWZZFUONJPWAL-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[2-cyclobutyl-4-(4-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-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211827
N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211279
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211527
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
CID 117211581
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212057
N'-(2-cyclobutylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212308
N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
CID 117211459
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
CID 117211607
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212128

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211923) is N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is Cc1ccc(-c2nc(C3CCC3)ncc2NCCN)cc1.
What is the InChIKey of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is GCWZZFUONJPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-5-7-13(8-6-12)16-15(19-10-9-18)11-20-17(21-16)14-3-2-4-14/h5-8,11,14,19H,2-4,9-10,18H2,1H3.
What are the key properties of N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).