2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide

C16H17N5O2S — CID 666505

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n1
InChIInChI=1S/C16H17N5O2S/c1-9-6-10(2)19-16(18-9)24-8-14(23)21-15-17-7-11-12(20-15)4-3-5-13(11)22/h6-7H,3-5,8H2,1-2H3,(H,17,20,21,23)
InChIKeyJGPBBLJMFUULGX-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.13
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide (PubChem CID 666505) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide
PubChem CID666505
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n1
InChIInChI=1S/C16H17N5O2S/c1-9-6-10(2)19-16(18-9)24-8-14(23)21-15-17-7-11-12(20-15)4-3-5-13(11)22/h6-7H,3-5,8H2,1-2H3,(H,17,20,21,23)
InChIKeyJGPBBLJMFUULGX-UHFFFAOYSA-N
XLogP2.13
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide with MolForge

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Related Compounds

2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl piperidine-1-carbodithioate
CID 1996421
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 666596
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl morpholine-4-carbodithioate
CID 2015259
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl diethylcarbamodithioate
CID 3896874
2-[(7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl piperidine-1-carbodithioate
CID 2013996
2-[(7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl diethylcarbamodithioate
CID 4005131
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 665464
N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-propylpentanamide
CID 4891724
2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one
CID 13792523
2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 49762935
2-[(7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
CID 3547055
2-ethyl-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)butanamide
CID 4394538

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide (CID 666505) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
The InChIKey is JGPBBLJMFUULGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-6-10(2)19-16(18-9)24-8-14(23)21-15-17-7-11-12(20-15)4-3-5-13(11)22/h6-7H,3-5,8H2,1-2H3,(H,17,20,21,23).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide is sourced from PubChem (CID 666505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).