7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one

C11H8N4OS — CID 135542040

IUPAC7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESNc1cc2nc[nH]c(=O)c2c(-c2ccsc2)n1
InChIInChI=1S/C11H8N4OS/c12-8-3-7-9(11(16)14-5-13-7)10(15-8)6-1-2-17-4-6/h1-5H,(H2,12,15)(H,13,14,16)
InChIKeyUBFISQAOZQFWEQ-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.63
Rot. Bonds1

About 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one

7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135542040) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135542040
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESNc1cc2nc[nH]c(=O)c2c(-c2ccsc2)n1
InChIInChI=1S/C11H8N4OS/c12-8-3-7-9(11(16)14-5-13-7)10(15-8)6-1-2-17-4-6/h1-5H,(H2,12,15)(H,13,14,16)
InChIKeyUBFISQAOZQFWEQ-UHFFFAOYSA-N
XLogP1.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135542052
5-amino-7-fluoro-3H-quinazolin-4-one
CID 171922315
2,3-di(thiophen-3-yl)benzo[g]quinoxaline
CID 10291206
5-amino-6-methyl-3H-quinazolin-4-one
CID 135703158
6-(4-fluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135463111
5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 137262042
5-iodo-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
CID 136971396
4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 24963935
3-phenyl-2-thiophen-3-ylquinoline
CID 164677257
3-thiophen-3-ylpyrazine-2-carbaldehyde
CID 86263264
5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167626
6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one
CID 162429521

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135542040) is 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one is Nc1cc2nc[nH]c(=O)c2c(-c2ccsc2)n1.
What is the InChIKey of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UBFISQAOZQFWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-8-3-7-9(11(16)14-5-13-7)10(15-8)6-1-2-17-4-6/h1-5H,(H2,12,15)(H,13,14,16).
What are the key properties of 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 244.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-thiophen-3-yl-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135542040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).