5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine

C15H25ClN4 — CID 80841109

IUPAC5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C15H25ClN4/c1-4-7-17-15-18-9-13(16)14(20-15)19-12-6-5-10(2)11(3)8-12/h9-12H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyKPJHPMKJKRJXRU-UHFFFAOYSA-N
MW296.85 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80841109) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80841109
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C15H25ClN4/c1-4-7-17-15-18-9-13(16)14(20-15)19-12-6-5-10(2)11(3)8-12/h9-12H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyKPJHPMKJKRJXRU-UHFFFAOYSA-N
XLogP4.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
5-chloro-4-N-(1-methylpyrrolidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804147
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114541901
5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 114506528
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80841105
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80822321
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114124204

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine (CID 80841109) is 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NC2CCC(C)C(C)C2)n1.
What is the InChIKey of 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KPJHPMKJKRJXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-4-7-17-15-18-9-13(16)14(20-15)19-12-6-5-10(2)11(3)8-12/h9-12H,4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 296.85 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80841109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).