4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine

C17H21ClN4O — CID 19154177

IUPAC4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1OC1CCCCC1
InChIInChI=1S/C17H21ClN4O/c18-14-9-5-4-6-12(14)10-20-16-15(19)17(22-11-21-16)23-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10,19H2,(H,20,21,22)
InChIKeyOCHDFLSHMJHQSF-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.04
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine

4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine (PubChem CID 19154177) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine
PubChem CID19154177
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1OC1CCCCC1
InChIInChI=1S/C17H21ClN4O/c18-14-9-5-4-6-12(14)10-20-16-15(19)17(22-11-21-16)23-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10,19H2,(H,20,21,22)
InChIKeyOCHDFLSHMJHQSF-UHFFFAOYSA-N
XLogP4.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-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-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22538961
4-N-(3-chloro-2-methylphenyl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 22545500
4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19153291
6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 22546948
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
4-N-(1-adamantyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19143547
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
N'-(5-amino-6-cyclohexyloxypyrimidin-4-yl)pyridine-2-carbohydrazide
CID 19152018
6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 19152823
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine (CID 19154177) is 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine is Nc1c(NCc2ccccc2Cl)ncnc1OC1CCCCC1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine?
The InChIKey is OCHDFLSHMJHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c18-14-9-5-4-6-12(14)10-20-16-15(19)17(22-11-21-16)23-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10,19H2,(H,20,21,22).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine?
4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine has a molecular weight of 332.83 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19154177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).