2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C17H22N4O3S — CID 155901085

IUPAC2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCS(=O)(=O)N1CCc2nc(NC)n(-c3ccccc3)c(=O)c2C1
InChIInChI=1S/C17H22N4O3S/c1-3-11-25(23,24)20-10-9-15-14(12-20)16(22)21(17(18-2)19-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,18,19)
InChIKeyREVAYWPPEOOQCV-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.37
Rot. Bonds5

About 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 155901085) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID155901085
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCS(=O)(=O)N1CCc2nc(NC)n(-c3ccccc3)c(=O)c2C1
InChIInChI=1S/C17H22N4O3S/c1-3-11-25(23,24)20-10-9-15-14(12-20)16(22)21(17(18-2)19-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,18,19)
InChIKeyREVAYWPPEOOQCV-UHFFFAOYSA-N
XLogP1.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 155901085) is 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is CCCS(=O)(=O)N1CCc2nc(NC)n(-c3ccccc3)c(=O)c2C1.
What is the InChIKey of 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is REVAYWPPEOOQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-11-25(23,24)20-10-9-15-14(12-20)16(22)21(17(18-2)19-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 362.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-phenyl-6-propylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 155901085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).