8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C18H18FN3OS — CID 59639609

IUPAC8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(SC)nc21
InChIInChI=1S/C18H18FN3OS/c1-4-11(2)22-15(23)10-9-13-16(12-7-5-6-8-14(12)19)20-18(24-3)21-17(13)22/h5-11H,4H2,1-3H3
InChIKeyVYOJWLGBGPUPMJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.29
Rot. Bonds4

About 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639609) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59639609
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(SC)nc21
InChIInChI=1S/C18H18FN3OS/c1-4-11(2)22-15(23)10-9-13-16(12-7-5-6-8-14(12)19)20-18(24-3)21-17(13)22/h5-11H,4H2,1-3H3
InChIKeyVYOJWLGBGPUPMJ-UHFFFAOYSA-N
XLogP4.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10272017
4-(2-fluorophenyl)-2-methylsulfanyl-6-propan-2-ylpyrimidine-5-carboxamide
CID 69322664
8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10291745
4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
CID 10158211
4-(2-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 86606503
N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide
CID 10159626
4-(5-fluoro-2-methylphenyl)-2-methylsulfanyl-8-(2,3,4-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 69251800
N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156297
N-butan-2-yl-1-(2-fluorophenyl)isoquinoline-3-carboxamide
CID 15740682
3-[8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide;3-[8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide
CID 159511321
3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole
CID 142566335
3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde
CID 105473585

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 59639609) is 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CCC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(SC)nc21.
What is the InChIKey of 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VYOJWLGBGPUPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-4-11(2)22-15(23)10-9-13-16(12-7-5-6-8-14(12)19)20-18(24-3)21-17(13)22/h5-11H,4H2,1-3H3.
What are the key properties of 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 343.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).