7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one

C19H15N3O2S — CID 53035248

IUPAC7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3c(=O)n(Cc4ccncc4)cnc23)cc1
InChIInChI=1S/C19H15N3O2S/c1-24-15-4-2-14(3-5-15)16-11-25-18-17(16)21-12-22(19(18)23)10-13-6-8-20-9-7-13/h2-9,11-12H,10H2,1H3
InChIKeyNFLYIUGEFDSSLY-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.58
Rot. Bonds4

About 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one

7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 53035248) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID53035248
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3c(=O)n(Cc4ccncc4)cnc23)cc1
InChIInChI=1S/C19H15N3O2S/c1-24-15-4-2-14(3-5-15)16-11-25-18-17(16)21-12-22(19(18)23)10-13-6-8-20-9-7-13/h2-9,11-12H,10H2,1H3
InChIKeyNFLYIUGEFDSSLY-UHFFFAOYSA-N
XLogP3.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585406
6-(2-Amino-4-pyridinyl)-3-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156021995
9-(Dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone
CID 1208332
3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
5-(4-Methoxyphenyl)-13-(prop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 23634326
5-(4-Methoxyphenyl)-13-[methyl(prop-2-enyl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54581505
5-(4-Methoxyphenyl)-13-[methyl(prop-2-ynyl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54584887
2-{[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]amino}-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1296836
(11C)Mmtp
CID 46891047
5-(4-methoxyphenyl)-2-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 853256
5-(3,4-dimethoxyphenyl)-2-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 1186205

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one (CID 53035248) is 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2csc3c(=O)n(Cc4ccncc4)cnc23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NFLYIUGEFDSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-15-4-2-14(3-5-15)16-11-25-18-17(16)21-12-22(19(18)23)10-13-6-8-20-9-7-13/h2-9,11-12H,10H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 349.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53035248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).