1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine

C13H13F2N3 — CID 116892415

IUPAC1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)cc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C13H13F2N3/c1-8-5-12(18-13(17-8)7-16-2)10-6-9(14)3-4-11(10)15/h3-6,16H,7H2,1-2H3
InChIKeyWLEZJYGSKRPNPX-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.45
Rot. Bonds3

About 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine

1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine (PubChem CID 116892415) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine
PubChem CID116892415
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine
SMILESCNCc1nc(C)cc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C13H13F2N3/c1-8-5-12(18-13(17-8)7-16-2)10-6-9(14)3-4-11(10)15/h3-6,16H,7H2,1-2H3
InChIKeyWLEZJYGSKRPNPX-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892653
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895033
N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
CID 116892451
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895064
N-methyl-1-(4-methyl-6-naphthalen-2-ylpyrimidin-2-yl)methanamine
CID 116892458
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
6-(2,5-difluorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716671
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine (CID 116892415) is 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine is CNCc1nc(C)cc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine?
The InChIKey is WLEZJYGSKRPNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-5-12(18-13(17-8)7-16-2)10-6-9(14)3-4-11(10)15/h3-6,16H,7H2,1-2H3.
What are the key properties of 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine?
1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine has a molecular weight of 249.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 116892415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).