4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C15H25FN4 — CID 80837855

IUPAC4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H25FN4/c1-4-9-17-14-18-10-12(16)13(20-14)19-11-5-7-15(2,3)8-6-11/h10-11H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLRFZOENMKUERDG-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.82
Rot. Bonds5

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

4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80837855) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80837855
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H25FN4/c1-4-9-17-14-18-10-12(16)13(20-14)19-11-5-7-15(2,3)8-6-11/h10-11H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLRFZOENMKUERDG-UHFFFAOYSA-N
XLogP3.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine with MolForge

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Related Compounds

5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80846627
2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine
CID 103968638
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838986
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
5-fluoro-4-N-(2-methoxycyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 80817323
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine
CID 80808231
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80781382
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80837855) is 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LRFZOENMKUERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-4-9-17-14-18-10-12(16)13(20-14)19-11-5-7-15(2,3)8-6-11/h10-11H,4-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 280.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80837855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).