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

C12H13N3O2 — CID 39733899

IUPAC4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N)n2)c(OC)c1
InChIInChI=1S/C12H13N3O2/c1-16-8-3-4-9(11(7-8)17-2)10-5-6-14-12(13)15-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyAHYDEALKOXBYFY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds3

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

4-(2,4-dimethoxyphenyl)pyrimidin-2-amine (PubChem CID 39733899) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
PubChem CID39733899
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N)n2)c(OC)c1
InChIInChI=1S/C12H13N3O2/c1-16-8-3-4-9(11(7-8)17-2)10-5-6-14-12(13)15-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyAHYDEALKOXBYFY-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-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
CID 116904018
1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901463
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504
4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 175424034
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
2-(2,4-dimethoxyphenyl)-3-methoxypyridin-4-amine
CID 77093303
4-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)pyrimidin-2-amine
CID 75359700

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine (CID 39733899) is 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2ccnc(N)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is AHYDEALKOXBYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-8-3-4-9(11(7-8)17-2)10-5-6-14-12(13)15-10/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine?
4-(2,4-dimethoxyphenyl)pyrimidin-2-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 4-(2,4-dimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 39733899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).