8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline

C16H13N5S — CID 54352257

IUPAC8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESCSc1ncc2c(n1)CCc1cnc(-c3cccnc3)nc1-2
InChIInChI=1S/C16H13N5S/c1-22-16-19-9-12-13(20-16)5-4-10-8-18-15(21-14(10)12)11-3-2-6-17-7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyUGPAQTPKGBTRLX-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.82
Rot. Bonds2

About 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline

8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline (PubChem CID 54352257) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline.

Molecular Properties

Compound Name8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline
PubChem CID54352257
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESCSc1ncc2c(n1)CCc1cnc(-c3cccnc3)nc1-2
InChIInChI=1S/C16H13N5S/c1-22-16-19-9-12-13(20-16)5-4-10-8-18-15(21-14(10)12)11-3-2-6-17-7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyUGPAQTPKGBTRLX-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

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Related Compounds

8-methylsulfanyl-2-pyridin-2-yl-5,6-dihydropyrimido[4,5-f]quinazoline
CID 54032488
4-pyridin-3-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-13-amine
CID 59738015
2-(6-chloro-3-pyridinyl)-5,6-dihydropyrimido[4,5-f]quinazoline
CID 54540965
2-methylsulfanyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 53213011
2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline
CID 123894743
2-(6-methyl-1-oxidopyridin-1-ium-3-yl)-5,6-dihydropyrimido[4,5-f]quinazolin-8-amine
CID 54031145
6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915635
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912602
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
CID 67430647

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
The IUPAC name of 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline (CID 54352257) is 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline.
What is the SMILES notation for 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
The canonical SMILES for 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline is CSc1ncc2c(n1)CCc1cnc(-c3cccnc3)nc1-2.
What is the InChIKey of 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
The InChIKey is UGPAQTPKGBTRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-22-16-19-9-12-13(20-16)5-4-10-8-18-15(21-14(10)12)11-3-2-6-17-7-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 8-methylsulfanyl-2-pyridin-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline?
8-methylsulfanyl-2-pyridin-3-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-3-yl-5,6-dihydropyrimido[4,5-f]quinazoline is sourced from PubChem (CID 54352257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).