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

C12H13N3O2 — CID 152662763

IUPACN-(2,5-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ccncn2)c1
InChIInChI=1S/C12H13N3O2/c1-16-9-3-4-11(17-2)10(7-9)15-12-5-6-13-8-14-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyZJWQHZKFVNBGNY-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.24
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)pyrimidin-4-amine (PubChem CID 152662763) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)pyrimidin-4-amine
PubChem CID152662763
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2,5-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ccncn2)c1
InChIInChI=1S/C12H13N3O2/c1-16-9-3-4-11(17-2)10(7-9)15-12-5-6-13-8-14-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyZJWQHZKFVNBGNY-UHFFFAOYSA-N
XLogP2.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-methylpyridin-2-amine
CID 91756707
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
2-N-(2,5-dimethoxyphenyl)pyrazine-2,5-diamine
CID 80653257
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)pyrimidin-4-amine (CID 152662763) is N-(2,5-dimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)pyrimidin-4-amine is COc1ccc(OC)c(Nc2ccncn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is ZJWQHZKFVNBGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-9-3-4-11(17-2)10(7-9)15-12-5-6-13-8-14-12/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of N-(2,5-dimethoxyphenyl)pyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 152662763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).