6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C15H15N3O2S — CID 137174987

IUPAC6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)CC(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C15H15N3O2S/c1-21-15-17-12-11(14(20)18-15)8-10(13(19)16-12)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyMIPYUXJIVZVIDP-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.85
Rot. Bonds3

About 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 137174987) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID137174987
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCSc1nc2c(c(=O)[nH]1)CC(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C15H15N3O2S/c1-21-15-17-12-11(14(20)18-15)8-10(13(19)16-12)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyMIPYUXJIVZVIDP-UHFFFAOYSA-N
XLogP1.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
CID 780368
5,5'-(Phenylmethylene)bis[2-(methylthio)-4,6-pyrimidinediol]
CID 2928718
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
5-(2-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135439638
5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472220
8,8-Dimethyl-2-(methylsulfanyl)-5-phenyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-B]quinoline-4,6-dione
CID 135439712
5-(4-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135448492
5-benzyl-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one
CID 135422583
2-Amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505636
2-Amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505648
2-Amino-5-(3-ethylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550466

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 137174987) is 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CSc1nc2c(c(=O)[nH]1)CC(Cc1ccccc1)C(=O)N2.
What is the InChIKey of 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MIPYUXJIVZVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-21-15-17-12-11(14(20)18-15)8-10(13(19)16-12)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 301.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 137174987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).