4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80799799

IUPAC4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)CC1CCCCC1
InChIInChI=1S/C16H28N4/c1-4-8-14-15(17-2)18-12-19-16(14)20(3)11-13-9-6-5-7-10-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyHMFOUROCNFQQAL-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.49
Rot. Bonds6

About 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80799799) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
PubChem CID80799799
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(C)CC1CCCCC1
InChIInChI=1S/C16H28N4/c1-4-8-14-15(17-2)18-12-19-16(14)20(3)11-13-9-6-5-7-10-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyHMFOUROCNFQQAL-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-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

6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799644
4-N-(cyclohexylmethyl)-4-N,6-N,5-trimethyl-2-propylpyrimidine-4,6-diamine
CID 80987928
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80824410
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
4-N-(cyclohexylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799110
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017
4-N-(2,2-dimethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850251

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine (CID 80799799) is 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1N(C)CC1CCCCC1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is HMFOUROCNFQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-14-15(17-2)18-12-19-16(14)20(3)11-13-9-6-5-7-10-13/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80799799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).