6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C18H18N6OS — CID 136707347

IUPAC6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCSc1ncc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C18H18N6OS/c1-26-18-20-8-12(9-21-18)10-24-7-5-14-13(11-24)17(25)23-16(22-14)15-4-2-3-6-19-15/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,22,23,25)
InChIKeyXVPJBONBTRPAOT-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.90
Rot. Bonds4

About 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136707347) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136707347
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCSc1ncc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C18H18N6OS/c1-26-18-20-8-12(9-21-18)10-24-7-5-14-13(11-24)17(25)23-16(22-14)15-4-2-3-6-19-15/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,22,23,25)
InChIKeyXVPJBONBTRPAOT-UHFFFAOYSA-N
XLogP1.90
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707333
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707310
7-[(3-fluoro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865688
6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707329
7-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865469
7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864071
2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136691341
7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681056
2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681023
7-[(3-chloro-4-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865449
7-[(2,5-difluorophenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863851
2-pyridin-2-yl-7-[[2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136681967

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136707347) is 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CSc1ncc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1.
What is the InChIKey of 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XVPJBONBTRPAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-26-18-20-8-12(9-21-18)10-24-7-5-14-13(11-24)17(25)23-16(22-14)15-4-2-3-6-19-15/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,22,23,25).
What are the key properties of 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 366.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136707347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).