(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide

C8H10N4O2S — CID 8024239

IUPAC(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncccn1)C(=O)NC(N)=O
InChIInChI=1S/C8H10N4O2S/c1-5(6(13)12-7(9)14)15-8-10-3-2-4-11-8/h2-5H,1H3,(H3,9,12,13,14)/t5-/m0/s1
InChIKeyOOCRXBGNMXRZOD-YFKPBYRVSA-N
MW226.26 g/mol
LogP0.15
Rot. Bonds3

About (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide

(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 8024239) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID8024239
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncccn1)C(=O)NC(N)=O
InChIInChI=1S/C8H10N4O2S/c1-5(6(13)12-7(9)14)15-8-10-3-2-4-11-8/h2-5H,1H3,(H3,9,12,13,14)/t5-/m0/s1
InChIKeyOOCRXBGNMXRZOD-YFKPBYRVSA-N
XLogP0.15
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9108985
N-carbamoyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16587163
N-(3-amino-2-methylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 43188427
(2R)-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-carbamoylpropanamide
CID 7351654
tert-butyl 2-pyrimidin-2-ylsulfanylpropanoate
CID 64688515
(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 39082461
N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 47408950
2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282102
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide (CID 8024239) is (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide is C[C@H](Sc1ncccn1)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is OOCRXBGNMXRZOD-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-5(6(13)12-7(9)14)15-8-10-3-2-4-11-8/h2-5H,1H3,(H3,9,12,13,14)/t5-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide?
(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 226.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 8024239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).