N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C18H21N5O2S — CID 666596

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)n1
InChIInChI=1S/C18H21N5O2S/c1-10-5-11(2)21-17(20-10)26-9-15(25)23-16-19-8-12-13(22-16)6-18(3,4)7-14(12)24/h5,8H,6-7,9H2,1-4H3,(H,19,22,23,25)
InChIKeyQVCFSRNZEFWCRI-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.77
Rot. Bonds4

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 666596) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID666596
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)n1
InChIInChI=1S/C18H21N5O2S/c1-10-5-11(2)21-17(20-10)26-9-15(25)23-16-19-8-12-13(22-16)6-18(3,4)7-14(12)24/h5,8H,6-7,9H2,1-4H3,(H,19,22,23,25)
InChIKeyQVCFSRNZEFWCRI-UHFFFAOYSA-N
XLogP2.77
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide 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-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
CID 1594930
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1844484
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl diethylcarbamodithioate
CID 3896874
2-Butyl-N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)cyclopropanecarboxamide
CID 615629
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-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 666505
Acetamide, N-(2,4-difluorophenyl)-2-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-ylsulfanyl)-
CID 619352
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)cyclopentanecarboxamide
CID 743130
2-[(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 2820732
2-({2-[(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl}sulfanyl)-N-(3-fluorophenyl)acetamide
CID 3348497

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 666596) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)n1.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is QVCFSRNZEFWCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10-5-11(2)21-17(20-10)26-9-15(25)23-16-19-8-12-13(22-16)6-18(3,4)7-14(12)24/h5,8H,6-7,9H2,1-4H3,(H,19,22,23,25).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 371.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 666596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).