5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine

C16H18N4 — CID 149496162

IUPAC5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine
SMILESCC1=CNC(c2ccc(C3=NCC(C)=CN3)cc2)=NC1
InChIInChI=1S/C16H18N4/c1-11-7-17-15(18-8-11)13-3-5-14(6-4-13)16-19-9-12(2)10-20-16/h3-7,9H,8,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZGBKARDLTOSSGT-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.19
Rot. Bonds2

About 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine

5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine (PubChem CID 149496162) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine
PubChem CID149496162
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine
SMILESCC1=CNC(c2ccc(C3=NCC(C)=CN3)cc2)=NC1
InChIInChI=1S/C16H18N4/c1-11-7-17-15(18-8-11)13-3-5-14(6-4-13)16-19-9-12(2)10-20-16/h3-7,9H,8,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZGBKARDLTOSSGT-UHFFFAOYSA-N
XLogP2.19
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine 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-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine?
The IUPAC name of 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine (CID 149496162) is 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine?
The canonical SMILES for 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine is CC1=CNC(c2ccc(C3=NCC(C)=CN3)cc2)=NC1.
What is the InChIKey of 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine?
The InChIKey is ZGBKARDLTOSSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-7-17-15(18-8-11)13-3-5-14(6-4-13)16-19-9-12(2)10-20-16/h3-7,9H,8,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine?
5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine has a molecular weight of 266.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(5-methyl-1,4-dihydropyrimidin-2-yl)phenyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 149496162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).