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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80977138
6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80975741
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80975371
6-isoquinolin-8-yl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144328
5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80976141
6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975357
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977211
6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80986631

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).