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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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).