2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile

C20H18N4O3 — CID 166626065

IUPAC2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
SMILESCOc1cc(-c2nc(N)nc(-c3ccccc3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C20H18N4O3/c1-25-15-9-13(10-16(26-2)19(15)27-3)18-14(11-21)17(23-20(22)24-18)12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,22,23,24)
InChIKeyUZINKADFUHQKSE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile

2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile (PubChem CID 166626065) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
PubChem CID166626065
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
SMILESCOc1cc(-c2nc(N)nc(-c3ccccc3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C20H18N4O3/c1-25-15-9-13(10-16(26-2)19(15)27-3)18-14(11-21)17(23-20(22)24-18)12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,22,23,24)
InChIKeyUZINKADFUHQKSE-UHFFFAOYSA-N
XLogP3.29
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile (CID 166626065) is 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile is COc1cc(-c2nc(N)nc(-c3ccccc3)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile?
The InChIKey is UZINKADFUHQKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-25-15-9-13(10-16(26-2)19(15)27-3)18-14(11-21)17(23-20(22)24-18)12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,22,23,24).
What are the key properties of 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile?
2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 166626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).