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

C14H17N3O2 — CID 115530269

IUPAC(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2ccnc(C)n2)c1
InChIInChI=1S/C14H17N3O2/c1-9-16-5-4-13(17-9)14(15)10-6-11(18-2)8-12(7-10)19-3/h4-8,14H,15H2,1-3H3
InChIKeyMACVWIZZXQEYSX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.85
Rot. Bonds4

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

(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 115530269) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine
PubChem CID115530269
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2ccnc(C)n2)c1
InChIInChI=1S/C14H17N3O2/c1-9-16-5-4-13(17-9)14(15)10-6-11(18-2)8-12(7-10)19-3/h4-8,14H,15H2,1-3H3
InChIKeyMACVWIZZXQEYSX-UHFFFAOYSA-N
XLogP1.85
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 115530462
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-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 103433834
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428
(2-methylpyrimidin-4-yl)-(3-propylphenyl)methanamine
CID 116544988
(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 9115286
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527861
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine (CID 115530269) is (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine is COc1cc(OC)cc(C(N)c2ccnc(C)n2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is MACVWIZZXQEYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-16-5-4-13(17-9)14(15)10-6-11(18-2)8-12(7-10)19-3/h4-8,14H,15H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine?
(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 259.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 115530269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).