2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C15H17F2N3 — CID 62745958

IUPAC2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2ccc(F)c(F)c2)nc(C)c1C(C)CN
InChIInChI=1S/C15H17F2N3/c1-8(7-18)14-9(2)19-15(20-10(14)3)11-4-5-12(16)13(17)6-11/h4-6,8H,7,18H2,1-3H3
InChIKeyIJTHVLLBRHHBGI-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.10
Rot. Bonds3

About 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 62745958) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID62745958
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2ccc(F)c(F)c2)nc(C)c1C(C)CN
InChIInChI=1S/C15H17F2N3/c1-8(7-18)14-9(2)19-15(20-10(14)3)11-4-5-12(16)13(17)6-11/h4-6,8H,7,18H2,1-3H3
InChIKeyIJTHVLLBRHHBGI-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 62745958) is 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is Cc1nc(-c2ccc(F)c(F)c2)nc(C)c1C(C)CN.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is IJTHVLLBRHHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-8(7-18)14-9(2)19-15(20-10(14)3)11-4-5-12(16)13(17)6-11/h4-6,8H,7,18H2,1-3H3.
What are the key properties of 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 277.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 62745958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).