5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine

C12H18FN3O — CID 80858349

IUPAC5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCNc1ncc(F)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C12H18FN3O/c1-8-3-5-9(6-4-8)17-11-10(13)7-15-12(14-2)16-11/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNGNSVRBQZWAPPR-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.61
Rot. Bonds3

About 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine

5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80858349) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80858349
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCNc1ncc(F)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C12H18FN3O/c1-8-3-5-9(6-4-8)17-11-10(13)7-15-12(14-2)16-11/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNGNSVRBQZWAPPR-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine (CID 80858349) is 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine is CNc1ncc(F)c(OC2CCC(C)CC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is NGNSVRBQZWAPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8-3-5-9(6-4-8)17-11-10(13)7-15-12(14-2)16-11/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 239.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80858349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).