(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide

C11H17N3O2S — CID 135987826

IUPAC(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESCCCc1cc(=O)[nH]c(S[C@@H](CC)C(N)=O)n1
InChIInChI=1S/C11H17N3O2S/c1-3-5-7-6-9(15)14-11(13-7)17-8(4-2)10(12)16/h6,8H,3-5H2,1-2H3,(H2,12,16)(H,13,14,15)/t8-/m0/s1
InChIKeyQXWAMYVLKYMANU-QMMMGPOBSA-N
MW255.34 g/mol
LogP1.08
Rot. Bonds6

About (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide

(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide (PubChem CID 135987826) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
PubChem CID135987826
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESCCCc1cc(=O)[nH]c(S[C@@H](CC)C(N)=O)n1
InChIInChI=1S/C11H17N3O2S/c1-3-5-7-6-9(15)14-11(13-7)17-8(4-2)10(12)16/h6,8H,3-5H2,1-2H3,(H2,12,16)(H,13,14,15)/t8-/m0/s1
InChIKeyQXWAMYVLKYMANU-QMMMGPOBSA-N
XLogP1.08
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-carbamoyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720220
N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 136685024
ethyl 1-methyl-5-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]pyrazole-4-carboxylate
CID 136685012
3-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile
CID 135906794
(2S)-N-cyclopropyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720241
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
CID 135554801
N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135488271
2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136749109
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135423612
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
CID 136685258
2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135893852
2-[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135763484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The IUPAC name of (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide (CID 135987826) is (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide.
What is the SMILES notation for (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The canonical SMILES for (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide is CCCc1cc(=O)[nH]c(S[C@@H](CC)C(N)=O)n1.
What is the InChIKey of (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The InChIKey is QXWAMYVLKYMANU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-5-7-6-9(15)14-11(13-7)17-8(4-2)10(12)16/h6,8H,3-5H2,1-2H3,(H2,12,16)(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide?
(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide has a molecular weight of 255.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 135987826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).