(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine

C12H11F2N3 — CID 115530464

IUPAC(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2cccc(F)c2F)n1
InChIInChI=1S/C12H11F2N3/c1-7-16-6-5-10(17-7)12(15)8-3-2-4-9(13)11(8)14/h2-6,12H,15H2,1H3
InChIKeyOCOBUJAMEKDFSU-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.11
Rot. Bonds2

About (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine

(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 115530464) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
PubChem CID115530464
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2cccc(F)c2F)n1
InChIInChI=1S/C12H11F2N3/c1-7-16-6-5-10(17-7)12(15)8-3-2-4-9(13)11(8)14/h2-6,12H,15H2,1H3
InChIKeyOCOBUJAMEKDFSU-UHFFFAOYSA-N
XLogP2.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115530155
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 106646006
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine
CID 105150754
(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105032053
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 103433834
(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82730897

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine (CID 115530464) is (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(C(N)c2cccc(F)c2F)n1.
What is the InChIKey of (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is OCOBUJAMEKDFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-7-16-6-5-10(17-7)12(15)8-3-2-4-9(13)11(8)14/h2-6,12H,15H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine?
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 235.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 115530464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).