6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H15F2N3 — CID 80977226

IUPAC6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cccc(F)c1F
InChIInChI=1S/C14H15F2N3/c1-7(2)14-18-12(8(3)13(17)19-14)9-5-4-6-10(15)11(9)16/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyIWYSRPBIKBJUHA-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.44
Rot. Bonds2

About 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80977226) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80977226
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cccc(F)c1F
InChIInChI=1S/C14H15F2N3/c1-7(2)14-18-12(8(3)13(17)19-14)9-5-4-6-10(15)11(9)16/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyIWYSRPBIKBJUHA-UHFFFAOYSA-N
XLogP3.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80977226) is 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1cccc(F)c1F.
What is the InChIKey of 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is IWYSRPBIKBJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-7(2)14-18-12(8(3)13(17)19-14)9-5-4-6-10(15)11(9)16/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80977226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).