2-(3,4-dimethoxyphenyl)pyrimidin-5-amine

C12H13N3O2 — CID 43142283

IUPAC2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
SMILESCOc1ccc(-c2ncc(N)cn2)cc1OC
InChIInChI=1S/C12H13N3O2/c1-16-10-4-3-8(5-11(10)17-2)12-14-6-9(13)7-15-12/h3-7H,13H2,1-2H3
InChIKeyKEUGHKSUEBOAQK-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine

2-(3,4-dimethoxyphenyl)pyrimidin-5-amine (PubChem CID 43142283) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
PubChem CID43142283
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
SMILESCOc1ccc(-c2ncc(N)cn2)cc1OC
InChIInChI=1S/C12H13N3O2/c1-16-10-4-3-8(5-11(10)17-2)12-14-6-9(13)7-15-12/h3-7H,13H2,1-2H3
InChIKeyKEUGHKSUEBOAQK-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine (CID 43142283) is 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine is COc1ccc(-c2ncc(N)cn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine?
The InChIKey is KEUGHKSUEBOAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-10-4-3-8(5-11(10)17-2)12-14-6-9(13)7-15-12/h3-7H,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)pyrimidin-5-amine?
2-(3,4-dimethoxyphenyl)pyrimidin-5-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-(3,4-dimethoxyphenyl)pyrimidin-5-amine is sourced from PubChem (CID 43142283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).