2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine

C13H13F2N3 — CID 62191916

IUPAC2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3/c1-7(2)11-6-12(16)18-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyHRMXGQJLVFAJTN-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.13
Rot. Bonds2

About 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine

2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62191916) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID62191916
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3/c1-7(2)11-6-12(16)18-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyHRMXGQJLVFAJTN-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine (CID 62191916) is 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)nc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HRMXGQJLVFAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-7(2)11-6-12(16)18-13(17-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine?
2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 249.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62191916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).