7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C15H19N3S — CID 24930423

IUPAC7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCCCN1CCc2cnc(-c3cccs3)nc2C1
InChIInChI=1S/C15H19N3S/c1-2-3-7-18-8-6-12-10-16-15(17-13(12)11-18)14-5-4-9-19-14/h4-5,9-10H,2-3,6-8,11H2,1H3
InChIKeyBYSIAIKNWAONAW-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.36
Rot. Bonds4

About 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930423) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930423
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCCCN1CCc2cnc(-c3cccs3)nc2C1
InChIInChI=1S/C15H19N3S/c1-2-3-7-18-8-6-12-10-16-15(17-13(12)11-18)14-5-4-9-19-14/h4-5,9-10H,2-3,6-8,11H2,1H3
InChIKeyBYSIAIKNWAONAW-UHFFFAOYSA-N
XLogP3.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

7-[(3-methylphenyl)methyl]-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930213
6-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910942
6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908845
6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910732
6-[(2,4-dimethylphenyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928690
2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930380
6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908677
6-[(5-methoxy-1-methylindol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911551
3-methoxy-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
CID 24930034
[5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908656
6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912223
2-methyl-4-phenyl-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24917850

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930423) is 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCCCN1CCc2cnc(-c3cccs3)nc2C1.
What is the InChIKey of 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is BYSIAIKNWAONAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-3-7-18-8-6-12-10-16-15(17-13(12)11-18)14-5-4-9-19-14/h4-5,9-10H,2-3,6-8,11H2,1H3.
What are the key properties of 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 273.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).