5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine

C13H14N4O — CID 12060375

IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(/C=C/c2c(N)ncnc2N)cc1
InChIInChI=1S/C13H14N4O/c1-18-10-5-2-9(3-6-10)4-7-11-12(14)16-8-17-13(11)15/h2-8H,1H3,(H4,14,15,16,17)/b7-4+
InChIKeyPDEGZXJYGXCRDV-QPJJXVBHSA-N
MW242.28 g/mol
LogP1.82
Rot. Bonds3

About 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine

5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine (PubChem CID 12060375) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine
PubChem CID12060375
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(/C=C/c2c(N)ncnc2N)cc1
InChIInChI=1S/C13H14N4O/c1-18-10-5-2-9(3-6-10)4-7-11-12(14)16-8-17-13(11)15/h2-8H,1H3,(H4,14,15,16,17)/b7-4+
InChIKeyPDEGZXJYGXCRDV-QPJJXVBHSA-N
XLogP1.82
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine 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 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine (CID 12060375) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine is COc1ccc(/C=C/c2c(N)ncnc2N)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine?
The InChIKey is PDEGZXJYGXCRDV-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H14N4O/c1-18-10-5-2-9(3-6-10)4-7-11-12(14)16-8-17-13(11)15/h2-8H,1H3,(H4,14,15,16,17)/b7-4+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine?
5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 12060375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).