5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine

C9H7F2N3S — CID 90037033

IUPAC5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(C(F)F)nccc2n1
InChIInChI=1S/C9H7F2N3S/c1-15-9-13-4-5-6(14-9)2-3-12-7(5)8(10)11/h2-4,8H,1H3
InChIKeyBATRIBIARUKPJO-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.68
Rot. Bonds2

About 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine

5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine (PubChem CID 90037033) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine
PubChem CID90037033
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(C(F)F)nccc2n1
InChIInChI=1S/C9H7F2N3S/c1-15-9-13-4-5-6(14-9)2-3-12-7(5)8(10)11/h2-4,8H,1H3
InChIKeyBATRIBIARUKPJO-UHFFFAOYSA-N
XLogP2.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quinazoline
CID 9210
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328058
4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328069
4-N-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328057
4-N-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328059
Pyrido[4,3-d]pyrimidine-4,7-diamine,n4-[[4-(trifluoromethyl)phenyl]methyl]-
CID 5328086
N,N-dimethyl-2-(3-pyridyl)quinazolin-4-amine
CID 3233437
2-Methylquinazoline
CID 588987
MD 39-AM
CID 175083
7-Methyl-2-phenylpyrido[2,3-d]pyrimidine
CID 44435020
2-methylsulfanyl-N-propylpyrido[2,3-d]pyrimidin-4-amine
CID 44369719
2-methylsulfanyl-N-prop-2-enylpyrido[2,3-d]pyrimidin-4-amine
CID 44369735

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The IUPAC name of 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine (CID 90037033) is 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine is CSc1ncc2c(C(F)F)nccc2n1.
What is the InChIKey of 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The InChIKey is BATRIBIARUKPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c1-15-9-13-4-5-6(14-9)2-3-12-7(5)8(10)11/h2-4,8H,1H3.
What are the key properties of 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine?
5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine has a molecular weight of 227.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 90037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).