5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C16H27ClN4 — CID 80822321

IUPAC5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCC2CCC(C)CC2)n1
InChIInChI=1S/C16H27ClN4/c1-3-9-19-16-20-11-14(17)15(21-16)18-10-8-13-6-4-12(2)5-7-13/h11-13H,3-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyPAVXZHJGZXQHQZ-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.58
Rot. Bonds7

About 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80822321) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80822321
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCC2CCC(C)CC2)n1
InChIInChI=1S/C16H27ClN4/c1-3-9-19-16-20-11-14(17)15(21-16)18-10-8-13-6-4-12(2)5-7-13/h11-13H,3-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyPAVXZHJGZXQHQZ-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-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

5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80821828
5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80835356
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80841109
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
5-chloro-4-N-(1-methylpyrrolidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80822321) is 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NCCC2CCC(C)CC2)n1.
What is the InChIKey of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PAVXZHJGZXQHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-3-9-19-16-20-11-14(17)15(21-16)18-10-8-13-6-4-12(2)5-7-13/h11-13H,3-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 310.87 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80822321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).