2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide

C16H20N4O2S — CID 135431424

IUPAC2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-3-20(4-2)12(21)10-23-16-18-14(17)13(15(22)19-16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,17,18,19,22)
InChIKeyHPIIISBXLCCSDI-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.98
Rot. Bonds6

About 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide

2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 135431424) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID135431424
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-3-20(4-2)12(21)10-23-16-18-14(17)13(15(22)19-16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,17,18,19,22)
InChIKeyHPIIISBXLCCSDI-UHFFFAOYSA-N
XLogP1.98
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one
CID 574865
5-benzyl-6-hydroxy-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 1073970
N,N-diethyl-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135405931
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
6-benzyl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135415833
3-benzoyl-2-((2-(diethylamino)ethyl)thio)-6-hydroxy-5-propylpyrimidin-4(3H)-one hydrochloride
CID 135438918
5-(1-Butyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470251
5-(1-Methyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470283
5-(2-Oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470371
6-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3845245
(2Z)-3-ethyl-2-(ethylimino)-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 661614
2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
CID 661841

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide (CID 135431424) is 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is HPIIISBXLCCSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-20(4-2)12(21)10-23-16-18-14(17)13(15(22)19-16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H3,17,18,19,22).
What are the key properties of 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 332.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 135431424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).