2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

C16H18FN3O — CID 80978703

IUPAC2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-c2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C16H18FN3O/c1-9-14(11-6-7-13(21-3)12(17)8-11)19-16(10-4-5-10)20-15(9)18-2/h6-8,10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyREPHDNKBQDRHCT-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.52
Rot. Bonds4

About 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80978703) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80978703
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-c2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C16H18FN3O/c1-9-14(11-6-7-13(21-3)12(17)8-11)19-16(10-4-5-10)20-15(9)18-2/h6-8,10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyREPHDNKBQDRHCT-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (CID 80978703) is 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(-c2ccc(OC)c(F)c2)c1C.
What is the InChIKey of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is REPHDNKBQDRHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-9-14(11-6-7-13(21-3)12(17)8-11)19-16(10-4-5-10)20-15(9)18-2/h6-8,10H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 287.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80978703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).