6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine

C15H17F2N3 — CID 82822927

IUPAC6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C15H17F2N3/c1-4-5-12-19-11(8-13(18-3)20-12)14-10(16)7-6-9(2)15(14)17/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyYPYDGFLYQBKKCS-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.72
Rot. Bonds4

About 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine

6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 82822927) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID82822927
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C15H17F2N3/c1-4-5-12-19-11(8-13(18-3)20-12)14-10(16)7-6-9(2)15(14)17/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyYPYDGFLYQBKKCS-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
CID 82804327
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945080
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80945811
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80940706
N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 80939393
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine (CID 82822927) is 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(-c2c(F)ccc(C)c2F)n1.
What is the InChIKey of 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is YPYDGFLYQBKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-4-5-12-19-11(8-13(18-3)20-12)14-10(16)7-6-9(2)15(14)17/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 277.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82822927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).