N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine

C20H26N4 — CID 112876028

IUPACN-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(NC2CCCCCC2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H26N4/c1-15-21-19(23-17-9-4-2-3-5-10-17)14-20(22-15)24-13-12-16-8-6-7-11-18(16)24/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,21,22,23)
InChIKeyFPBQNBCSBKPIHO-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.61
Rot. Bonds3

About N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine

N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112876028) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112876028
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(NC2CCCCCC2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H26N4/c1-15-21-19(23-17-9-4-2-3-5-10-17)14-20(22-15)24-13-12-16-8-6-7-11-18(16)24/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,21,22,23)
InChIKeyFPBQNBCSBKPIHO-UHFFFAOYSA-N
XLogP4.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-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-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112877270
N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112868654
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872358

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine (CID 112876028) is N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine is Cc1nc(NC2CCCCCC2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is FPBQNBCSBKPIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-15-21-19(23-17-9-4-2-3-5-10-17)14-20(22-15)24-13-12-16-8-6-7-11-18(16)24/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,21,22,23).
What are the key properties of N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 322.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112876028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).