N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

C15H15N5O2S — CID 17027673

IUPACN-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC1CC(=O)c2cnc(NC(=O)CSc3ncccn3)nc2C1
InChIInChI=1S/C15H15N5O2S/c1-9-5-11-10(12(21)6-9)7-18-14(19-11)20-13(22)8-23-15-16-3-2-4-17-15/h2-4,7,9H,5-6,8H2,1H3,(H,18,19,20,22)
InChIKeyQLAUHEVDWDDXNH-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.76
Rot. Bonds4

About N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 17027673) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID17027673
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC1CC(=O)c2cnc(NC(=O)CSc3ncccn3)nc2C1
InChIInChI=1S/C15H15N5O2S/c1-9-5-11-10(12(21)6-9)7-18-14(19-11)20-13(22)8-23-15-16-3-2-4-17-15/h2-4,7,9H,5-6,8H2,1H3,(H,18,19,20,22)
InChIKeyQLAUHEVDWDDXNH-UHFFFAOYSA-N
XLogP1.76
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 17027673) is N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is CC1CC(=O)c2cnc(NC(=O)CSc3ncccn3)nc2C1.
What is the InChIKey of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is QLAUHEVDWDDXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-5-11-10(12(21)6-9)7-18-14(19-11)20-13(22)8-23-15-16-3-2-4-17-15/h2-4,7,9H,5-6,8H2,1H3,(H,18,19,20,22).
What are the key properties of N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 329.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 17027673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).