5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine

C15H25FN4 — CID 80800040

IUPAC5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C15H25FN4/c1-4-8-17-15-18-10-13(16)14(19-15)20(3)12-7-5-6-11(2)9-12/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyXORPGDKKWHAHJX-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.45
Rot. Bonds5

About 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80800040) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80800040
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C15H25FN4/c1-4-8-17-15-18-10-13(16)14(19-15)20(3)12-7-5-6-11(2)9-12/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyXORPGDKKWHAHJX-UHFFFAOYSA-N
XLogP3.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838986
5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
CID 80783482
2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80809604
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
2-N-methyl-2-N-(3-methylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80799805
5-chloro-4-N-methyl-4-N-(1-methylpiperidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80832102
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine (CID 80800040) is 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)C2CCCC(C)C2)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XORPGDKKWHAHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-4-8-17-15-18-10-13(16)14(19-15)20(3)12-7-5-6-11(2)9-12/h10-12H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 280.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80800040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).