N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine

C24H26N4 — CID 112934434

IUPACN-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine
SMILESc1ccc(-c2cc(N3CCc4ccccc4C3)nc(NC3CCCC3)n2)cc1
InChIInChI=1S/C24H26N4/c1-2-9-19(10-3-1)22-16-23(27-24(26-22)25-21-12-6-7-13-21)28-15-14-18-8-4-5-11-20(18)17-28/h1-5,8-11,16,21H,6-7,12-15,17H2,(H,25,26,27)
InChIKeyJPSXBNFNOSTQQF-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.06
Rot. Bonds4

About N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine

N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112934434) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine
PubChem CID112934434
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC NameN-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine
SMILESc1ccc(-c2cc(N3CCc4ccccc4C3)nc(NC3CCCC3)n2)cc1
InChIInChI=1S/C24H26N4/c1-2-9-19(10-3-1)22-16-23(27-24(26-22)25-21-12-6-7-13-21)28-15-14-18-8-4-5-11-20(18)17-28/h1-5,8-11,16,21H,6-7,12-15,17H2,(H,25,26,27)
InChIKeyJPSXBNFNOSTQQF-UHFFFAOYSA-N
XLogP5.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine 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-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112934438
1-[4,6-bis(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-3-cycloheptylthiourea
CID 100791301
2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112936358
1-cyclohexyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100791120
1-cyclopentyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea
CID 100790719
1-cyclopentyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]thiourea
CID 100790728
2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4682397
1-cycloheptyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]thiourea
CID 100791244
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80767534
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
1-cycloheptyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-pyrimidin-2-ylsulfanylpyrimidin-2-yl]thiourea
CID 100791306
1-cyclopropyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100790588

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine (CID 112934434) is N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine is c1ccc(-c2cc(N3CCc4ccccc4C3)nc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is JPSXBNFNOSTQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-2-9-19(10-3-1)22-16-23(27-24(26-22)25-21-12-6-7-13-21)28-15-14-18-8-4-5-11-20(18)17-28/h1-5,8-11,16,21H,6-7,12-15,17H2,(H,25,26,27).
What are the key properties of N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine?
N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 370.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112934434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).