5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine

C14H22FN3O — CID 80858167

IUPAC5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C14H22FN3O/c1-3-8-16-14-17-9-12(15)13(18-14)19-11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyYQXVWDITJUKPLM-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.40
Rot. Bonds5

About 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine

5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine (PubChem CID 80858167) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine
PubChem CID80858167
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C14H22FN3O/c1-3-8-16-14-17-9-12(15)13(18-14)19-11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyYQXVWDITJUKPLM-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine (CID 80858167) is 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(OC2CCC(C)CC2)n1.
What is the InChIKey of 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
The InChIKey is YQXVWDITJUKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-8-16-14-17-9-12(15)13(18-14)19-11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine?
5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine has a molecular weight of 267.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80858167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).