2-(2,5-dimethoxyphenyl)pyrimidin-4-amine

C12H13N3O2 — CID 62204234

IUPAC2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(-c2nccc(N)n2)c1
InChIInChI=1S/C12H13N3O2/c1-16-8-3-4-10(17-2)9(7-8)12-14-6-5-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyVROKOLAVVOXIGZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine

2-(2,5-dimethoxyphenyl)pyrimidin-4-amine (PubChem CID 62204234) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
PubChem CID62204234
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(-c2nccc(N)n2)c1
InChIInChI=1S/C12H13N3O2/c1-16-8-3-4-10(17-2)9(7-8)12-14-6-5-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyVROKOLAVVOXIGZ-UHFFFAOYSA-N
XLogP1.74
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 116795272
2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62202296
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
4-methoxy-3-(4-methylpyrimidin-2-yl)aniline
CID 82471257
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
2-(2,5-dimethoxyphenyl)-4-methylpyridin-3-amine
CID 114051131
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
CID 116797637
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine (CID 62204234) is 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine is COc1ccc(OC)c(-c2nccc(N)n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is VROKOLAVVOXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-8-3-4-10(17-2)9(7-8)12-14-6-5-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62204234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).