2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine

C12H18FN3O — CID 70805063

IUPAC2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(OC2CCCCC2)ncc1F
InChIInChI=1S/C12H18FN3O/c1-16(2)11-10(13)8-14-12(15-11)17-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyYVNVXKPWMIZRKK-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.39
Rot. Bonds3

About 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine

2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine (PubChem CID 70805063) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine
PubChem CID70805063
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(OC2CCCCC2)ncc1F
InChIInChI=1S/C12H18FN3O/c1-16(2)11-10(13)8-14-12(15-11)17-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyYVNVXKPWMIZRKK-UHFFFAOYSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine (CID 70805063) is 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine is CN(C)c1nc(OC2CCCCC2)ncc1F.
What is the InChIKey of 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is YVNVXKPWMIZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-16(2)11-10(13)8-14-12(15-11)17-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine?
2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-5-fluoro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 70805063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).