methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C39H34N6O3S2 — CID 159142025

IUPACmethane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC.COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1C.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C20H17N3O2S.C18H13N3OS.CH4/c1-12-9-13(6-7-14(12)10-25-2)15-11-26-18-17(15)22-19(23-20(18)24)16-5-3-4-8-21-16;1-11-5-4-6-12(9-11)13-10-23-16-15(13)20-17(21-18(16)22)14-7-2-3-8-19-14;/h3-9,11H,10H2,1-2H3,(H,22,23,24);2-10H,1H3,(H,20,21,22);1H4
InChIKeyKIFAVILWBUZIMH-UHFFFAOYSA-N
MW698.87 g/mol
LogP8.83
Rot. Bonds6

About methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159142025) has the molecular formula C39H34N6O3S2 and a molecular weight of 698.87 g/mol. Its IUPAC name is methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Namemethane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID159142025
Molecular FormulaC39H34N6O3S2
Molecular Weight698.87 g/mol
Exact Mass698.21
IUPAC Namemethane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC.COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1C.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C20H17N3O2S.C18H13N3OS.CH4/c1-12-9-13(6-7-14(12)10-25-2)15-11-26-18-17(15)22-19(23-20(18)24)16-5-3-4-8-21-16;1-11-5-4-6-12(9-11)13-10-23-16-15(13)20-17(21-18(16)22)14-7-2-3-8-19-14;/h3-9,11H,10H2,1-2H3,(H,22,23,24);2-10H,1H3,(H,20,21,22);1H4
InChIKeyKIFAVILWBUZIMH-UHFFFAOYSA-N
XLogP8.83
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429357
7-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429638
7-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 146521778
7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 146521793
7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 159375710
7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429456
7-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429666
7-(4-methoxy-2,5-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429786
7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene
CID 142506398
7-cyclopentyl-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)cyclohexyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506466
7-[2-(4-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506536
7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506560

Frequently Asked Questions

What is the IUPAC name of methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159142025) is methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is C.COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1C.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.
What is the InChIKey of methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KIFAVILWBUZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S.C18H13N3OS.CH4/c1-12-9-13(6-7-14(12)10-25-2)15-11-26-18-17(15)22-19(23-20(18)24)16-5-3-4-8-21-16;1-11-5-4-6-12(9-11)13-10-23-16-15(13)20-17(21-18(16)22)14-7-2-3-8-19-14;/h3-9,11H,10H2,1-2H3,(H,22,23,24);2-10H,1H3,(H,20,21,22);1H4.
What are the key properties of methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 698.87 g/mol, XLogP of 8.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159142025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).