8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline

C16H13N5S — CID 54032488

IUPAC8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESCSc1ncc2c(n1)CCc1cnc(-c3ccccn3)nc1-2
InChIInChI=1S/C16H13N5S/c1-22-16-19-9-11-12(20-16)6-5-10-8-18-15(21-14(10)11)13-4-2-3-7-17-13/h2-4,7-9H,5-6H2,1H3
InChIKeyLGOQGLQPJNIBQE-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.82
Rot. Bonds2

About 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline

8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline (PubChem CID 54032488) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline.

Molecular Properties

Compound Name8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline
PubChem CID54032488
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESCSc1ncc2c(n1)CCc1cnc(-c3ccccn3)nc1-2
InChIInChI=1S/C16H13N5S/c1-22-16-19-9-11-12(20-16)6-5-10-8-18-15(21-14(10)11)13-4-2-3-7-17-13/h2-4,7-9H,5-6H2,1H3
InChIKeyLGOQGLQPJNIBQE-UHFFFAOYSA-N
XLogP2.82
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline 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 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
The IUPAC name of 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline (CID 54032488) is 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline.
What is the SMILES notation for 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
The canonical SMILES for 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline is CSc1ncc2c(n1)CCc1cnc(-c3ccccn3)nc1-2.
What is the InChIKey of 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
The InChIKey is LGOQGLQPJNIBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-22-16-19-9-11-12(20-16)6-5-10-8-18-15(21-14(10)11)13-4-2-3-7-17-13/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline has a molecular weight of 307.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline is sourced from PubChem (CID 54032488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).