(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine

C14H17N3 — CID 115530103

IUPAC(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccnc(C)n2)c1
InChIInChI=1S/C14H17N3/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(3)17-13/h4-8,14H,15H2,1-3H3
InChIKeyZZJXCWDYMHXNPP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.45
Rot. Bonds2

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

(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 115530103) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
PubChem CID115530103
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccnc(C)n2)c1
InChIInChI=1S/C14H17N3/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(3)17-13/h4-8,14H,15H2,1-3H3
InChIKeyZZJXCWDYMHXNPP-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530269
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428
(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 115530462
(2-methylpyrimidin-4-yl)-(3-propylphenyl)methanamine
CID 116544988
[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260453
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
bis(3,5-dimethylphenyl)methanamine
CID 115796405
1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530047
(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530329
(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722165

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine (CID 115530103) is (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine is Cc1cc(C)cc(C(N)c2ccnc(C)n2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is ZZJXCWDYMHXNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(3)17-13/h4-8,14H,15H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 115530103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).