5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

C17H17F2N3O2S — CID 23609564

IUPAC5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2N3O2S/c1-3-4-25-17-21-16(24)14-12(8-13(23)20-15(14)22(17)2)9-5-10(18)7-11(19)6-9/h5-7,12H,3-4,8H2,1-2H3,(H,20,23)
InChIKeyQNGGGBDDGPKBDZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.03
Rot. Bonds4

About 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 23609564) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID23609564
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2N3O2S/c1-3-4-25-17-21-16(24)14-12(8-13(23)20-15(14)22(17)2)9-5-10(18)7-11(19)6-9/h5-7,12H,3-4,8H2,1-2H3,(H,20,23)
InChIKeyQNGGGBDDGPKBDZ-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-Difluorophenyl)-1-methyl-2-(propylsulfanyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 16014803
5-(4-fluorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135439631
2-{[(2-Chlorophenyl)methyl]sulfanyl}-5-(2,5-difluorophenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 16014805
2-(methylsulfanyl)-5-[4-(trifluoromethyl)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135439665
5-(3,5-Difluorophenyl)-1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 16014801
5-(2,3-Difluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135546799
5-(2,4-Difluorophenyl)-2-(propylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135546800
4-phenyl-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione
CID 5296672
4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione
CID 5296673
4-(2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione
CID 5297287
5-(3,5-Difluorophenyl)-1-methyl-2-(methylsulfanyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 16014799
2-[(2-fluorobenzyl)sulfanyl]-5-(4-fluorophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
CID 135456852

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 23609564) is 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is CCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is QNGGGBDDGPKBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-3-4-25-17-21-16(24)14-12(8-13(23)20-15(14)22(17)2)9-5-10(18)7-11(19)6-9/h5-7,12H,3-4,8H2,1-2H3,(H,20,23).
What are the key properties of 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 365.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 23609564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).