2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one

C14H13N3O2S2 — CID 122159383

IUPAC2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccnc(CSc2nc3ccsc3c(=O)n2C)c1
InChIInChI=1S/C14H13N3O2S2/c1-17-13(18)12-11(4-6-20-12)16-14(17)21-8-9-7-10(19-2)3-5-15-9/h3-7H,8H2,1-2H3
InChIKeyJYJDRPJJBOBKLM-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.69
Rot. Bonds4

About 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one

2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 122159383) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID122159383
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccnc(CSc2nc3ccsc3c(=O)n2C)c1
InChIInChI=1S/C14H13N3O2S2/c1-17-13(18)12-11(4-6-20-12)16-14(17)21-8-9-7-10(19-2)3-5-15-9/h3-7H,8H2,1-2H3
InChIKeyJYJDRPJJBOBKLM-UHFFFAOYSA-N
XLogP2.69
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33335871
3-methyl-2-(pyridin-3-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
CID 35194544
2-[(2-ethoxyphenyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
CID 17409555
3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33337407
3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33340761
methyl 3-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 33346912
2-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 33337718
3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35221181
N,N-dimethyl-3-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
CID 55988670
3-(4-methoxyphenyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 4127637
3-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 17426145
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33336362

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one (CID 122159383) is 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one is COc1ccnc(CSc2nc3ccsc3c(=O)n2C)c1.
What is the InChIKey of 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is JYJDRPJJBOBKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-17-13(18)12-11(4-6-20-12)16-14(17)21-8-9-7-10(19-2)3-5-15-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one?
2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 319.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 122159383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).