(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine

C13H13F2N3 — CID 107513751

IUPAC(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(C)c(F)c2F)nc1
InChIInChI=1S/C13H13F2N3/c1-7-5-17-13(18-6-7)12(16)9-4-3-8(2)10(14)11(9)15/h3-6,12H,16H2,1-2H3
InChIKeyNWZCNYPTFZCCDH-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.42
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine

(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine (PubChem CID 107513751) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
PubChem CID107513751
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(C)c(F)c2F)nc1
InChIInChI=1S/C13H13F2N3/c1-7-5-17-13(18-6-7)12(16)9-4-3-8(2)10(14)11(9)15/h3-6,12H,16H2,1-2H3
InChIKeyNWZCNYPTFZCCDH-UHFFFAOYSA-N
XLogP2.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107129090
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 107515381
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
CID 107515261
1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine
CID 107513783
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437
(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107515949

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine (CID 107513751) is (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine is Cc1cnc(C(N)c2ccc(C)c(F)c2F)nc1.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
The InChIKey is NWZCNYPTFZCCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-7-5-17-13(18-6-7)12(16)9-4-3-8(2)10(14)11(9)15/h3-6,12H,16H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine?
(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine has a molecular weight of 249.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 107513751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).