N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

C8H11N3O2S — CID 133056774

IUPACN,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1[nH]c(=O)ncc1C(=O)N(C)C
InChIInChI=1S/C8H11N3O2S/c1-11(2)7(12)5-4-9-8(13)10-6(5)14-3/h4H,1-3H3,(H,9,10,13)
InChIKeyIQTUGAOWYNLJFO-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.19
Rot. Bonds2

About N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 133056774) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID133056774
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1[nH]c(=O)ncc1C(=O)N(C)C
InChIInChI=1S/C8H11N3O2S/c1-11(2)7(12)5-4-9-8(13)10-6(5)14-3/h4H,1-3H3,(H,9,10,13)
InChIKeyIQTUGAOWYNLJFO-UHFFFAOYSA-N
XLogP0.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2,4-tetramethylpyrimidine-5-carboxamide
CID 126992090
N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72891553
5-acetyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 56698983
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900
6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one
CID 82076034
N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 53222392
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-amino-N,N-dimethyl-5-methylsulfanylpyridine-2-carboxamide
CID 145196831
N-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 597991
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595674
N,N-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 60692166
N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide
CID 131063419

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 133056774) is N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1[nH]c(=O)ncc1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is IQTUGAOWYNLJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-11(2)7(12)5-4-9-8(13)10-6(5)14-3/h4H,1-3H3,(H,9,10,13).
What are the key properties of N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 133056774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).