[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C15H20N8OS — CID 146038129

IUPAC[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nnc(N)s1)CC2
InChIInChI=1S/C15H20N8OS/c1-17-14-18-10-4-7-23(15-21-20-13(16)25-15)8-9(10)11(19-14)12(24)22-5-2-3-6-22/h2-8H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyPRDPFSUERAOHPP-UHFFFAOYSA-N
MW360.45 g/mol
LogP0.75
Rot. Bonds3

About [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 146038129) has the molecular formula C15H20N8OS and a molecular weight of 360.45 g/mol. Its IUPAC name is [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID146038129
Molecular FormulaC15H20N8OS
Molecular Weight360.45 g/mol
Exact Mass360.15
IUPAC Name[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nnc(N)s1)CC2
InChIInChI=1S/C15H20N8OS/c1-17-14-18-10-4-7-23(15-21-20-13(16)25-15)8-9(10)11(19-14)12(24)22-5-2-3-6-22/h2-8H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyPRDPFSUERAOHPP-UHFFFAOYSA-N
XLogP0.75
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 146038129) is [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nnc(N)s1)CC2.
What is the InChIKey of [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PRDPFSUERAOHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8OS/c1-17-14-18-10-4-7-23(15-21-20-13(16)25-15)8-9(10)11(19-14)12(24)22-5-2-3-6-22/h2-8H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 360.45 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 146038129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).