2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H16N4O2S — CID 135947150

IUPAC2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)cs1
InChIInChI=1S/C16H16N4O2S/c1-10-17-11(9-23-10)7-20-5-4-13-12(8-20)16(21)19-15(18-13)14-3-2-6-22-14/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19,21)
InChIKeyOMVXEOHMKNJVLG-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.35
Rot. Bonds3

About 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947150) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135947150
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)cs1
InChIInChI=1S/C16H16N4O2S/c1-10-17-11(9-23-10)7-20-5-4-13-12(8-20)16(21)19-15(18-13)14-3-2-6-22-14/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19,21)
InChIKeyOMVXEOHMKNJVLG-UHFFFAOYSA-N
XLogP2.35
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944770
2-(furan-2-yl)-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920111
6-[(2,6-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917298
6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946610
2-(furan-2-yl)-6-[(4-methylsulfanylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920031
2-(furan-2-yl)-6-[(2-methylsulfanylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918157
2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946970
2-(furan-2-yl)-6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944110
2-(furan-2-yl)-6-[(4-piperidin-1-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919254
2-(furan-2-yl)-6-[(2-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945250
6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918296
2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861702

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947150) is 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc(CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)cs1.
What is the InChIKey of 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OMVXEOHMKNJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-17-11(9-23-10)7-20-5-4-13-12(8-20)16(21)19-15(18-13)14-3-2-6-22-14/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19,21).
What are the key properties of 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 328.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).