2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one

C20H16FN5OS — CID 133434206

IUPAC2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
SMILESCCc1ncnc(Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)c1F
InChIInChI=1S/C20H16FN5OS/c1-3-14-17(21)18(24-11-23-14)28-20-25-15-7-5-4-6-13(15)19(27)26(20)16-9-8-12(2)10-22-16/h4-11H,3H2,1-2H3
InChIKeyYBKRKUDDMURNDH-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.73
Rot. Bonds4

About 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one

2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 133434206) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID133434206
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
SMILESCCc1ncnc(Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)c1F
InChIInChI=1S/C20H16FN5OS/c1-3-14-17(21)18(24-11-23-14)28-20-25-15-7-5-4-6-13(15)19(27)26(20)16-9-8-12(2)10-22-16/h4-11H,3H2,1-2H3
InChIKeyYBKRKUDDMURNDH-UHFFFAOYSA-N
XLogP3.73
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one with MolForge

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Related Compounds

3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one
CID 46821916
2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 42895290
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 17404225
(2R)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40584034
N-[(2S)-butan-2-yl]-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40583990
2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 30338506
(2R)-2-(4-fluorophenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41399900
3-(5-methyl-2-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 95737542
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797
ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 55321004
N-(2-chloro-4-methylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112784018
3-(5-methyl-2-pyridinyl)-2-pyridin-2-ylquinazolin-4-one
CID 102475909

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one (CID 133434206) is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one is CCc1ncnc(Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)c1F.
What is the InChIKey of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is YBKRKUDDMURNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c1-3-14-17(21)18(24-11-23-14)28-20-25-15-7-5-4-6-13(15)19(27)26(20)16-9-8-12(2)10-22-16/h4-11H,3H2,1-2H3.
What are the key properties of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one?
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one has a molecular weight of 393.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 133434206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).