7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone

C11H11N5OS — CID 72719383

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C11H11N5OS/c1-7-10(18-15-14-7)11(17)16-3-2-9-8(5-16)4-12-6-13-9/h4,6H,2-3,5H2,1H3
InChIKeyYVHFICZJPVKJLT-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.84
Rot. Bonds1

About 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone (PubChem CID 72719383) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone
PubChem CID72719383
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C11H11N5OS/c1-7-10(18-15-14-7)11(17)16-3-2-9-8(5-16)4-12-6-13-9/h4,6H,2-3,5H2,1H3
InChIKeyYVHFICZJPVKJLT-UHFFFAOYSA-N
XLogP0.84
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone (CID 72719383) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is YVHFICZJPVKJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-10(18-15-14-7)11(17)16-3-2-9-8(5-16)4-12-6-13-9/h4,6H,2-3,5H2,1H3.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 261.31 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 72719383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).