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

C18H19N5OS — CID 135943591

IUPAC6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)sc1C
InChIInChI=1S/C18H19N5OS/c1-11-5-14(25-12(11)2)8-23-4-3-16-15(9-23)18(24)22-17(21-16)13-6-19-10-20-7-13/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,22,24)
InChIKeyLSDUZVALMJFPNR-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.46
Rot. Bonds3

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

6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943591) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943591
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)sc1C
InChIInChI=1S/C18H19N5OS/c1-11-5-14(25-12(11)2)8-23-4-3-16-15(9-23)18(24)22-17(21-16)13-6-19-10-20-7-13/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,22,24)
InChIKeyLSDUZVALMJFPNR-UHFFFAOYSA-N
XLogP2.46
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-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-[(4-bromothiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861126
6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919653
6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946331
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945131
6-(pyrazin-2-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943631
6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862423
2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947031
6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916319
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707232
6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944351
6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946051
6-[(6-methyl-4-oxochromen-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862203

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943591) is 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)sc1C.
What is the InChIKey of 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LSDUZVALMJFPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11-5-14(25-12(11)2)8-23-4-3-16-15(9-23)18(24)22-17(21-16)13-6-19-10-20-7-13/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,22,24).
What are the key properties of 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).