4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine

C19H28N4 — CID 142230886

IUPAC4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC1CCC(CNc2nc(N(C)C)c3c(n2)=CC=CCC=3)CC1
InChIInChI=1S/C19H28N4/c1-14-9-11-15(12-10-14)13-20-19-21-17-8-6-4-5-7-16(17)18(22-19)23(2)3/h4,6-8,14-15H,5,9-13H2,1-3H3,(H,20,21)
InChIKeyHXJGDHBXRDEVIR-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.30
Rot. Bonds4

About 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine (PubChem CID 142230886) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
PubChem CID142230886
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
SMILESCC1CCC(CNc2nc(N(C)C)c3c(n2)=CC=CCC=3)CC1
InChIInChI=1S/C19H28N4/c1-14-9-11-15(12-10-14)13-20-19-21-17-8-6-4-5-7-16(17)18(22-19)23(2)3/h4,6-8,14-15H,5,9-13H2,1-3H3,(H,20,21)
InChIKeyHXJGDHBXRDEVIR-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-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

1-(cyclohexa-1,5-dien-1-ylmethyl)-6-cyclohex-3-en-1-yl-4-[(2E,4Z)-6-[6-[4-(2,4-dimethylpenta-1,3-dien-3-yl)-3-ethylcyclohepta-1,3-dien-1-yl]-1,2-dihydropyridin-3-yl]hepta-2,4-dien-3-yl]-2H-1,3,5-triazine
CID 169851137
4-N-tert-butyl-2-N-(cycloheptylmethyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228194
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
4-N,4-N-dimethyl-2-N-[(4R)-4-(methylamino)cycloheptyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142228432
2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
N-[4-[[[4-(dimethylamino)-8H-cyclohepta[d]pyrimidin-2-yl]amino]methyl]cyclohexyl]formamide
CID 142228531
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474
4-N,4-N-dimethyl-2-N-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230577
4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230604
2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142230774

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine (CID 142230886) is 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine is CC1CCC(CNc2nc(N(C)C)c3c(n2)=CC=CCC=3)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
The InChIKey is HXJGDHBXRDEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-14-9-11-15(12-10-14)13-20-19-21-17-8-6-4-5-7-16(17)18(22-19)23(2)3/h4,6-8,14-15H,5,9-13H2,1-3H3,(H,20,21).
What are the key properties of 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142230886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).