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

C18H17N3O2 — CID 134141609

IUPAC5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C18H17N3O2/c1-22-15-9-8-13(10-16(15)23-2)14-11-20-18(19)21-17(14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyAZSZPQQFODZWNF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.41
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine (PubChem CID 134141609) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine
PubChem CID134141609
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C18H17N3O2/c1-22-15-9-8-13(10-16(15)23-2)14-11-20-18(19)21-17(14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyAZSZPQQFODZWNF-UHFFFAOYSA-N
XLogP3.41
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine (CID 134141609) is 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2-c2ccccc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is AZSZPQQFODZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-9-8-13(10-16(15)23-2)14-11-20-18(19)21-17(14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine?
5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 307.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 134141609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).