N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C15H24N4O3S — CID 137253326

IUPACN-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCCCNC(=O)CN(C)C(=O)C(C)Sc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O3S/c1-5-6-7-16-13(21)9-19(4)14(22)11(3)23-15-17-10(2)8-12(20)18-15/h8,11H,5-7,9H2,1-4H3,(H,16,21)(H,17,18,20)
InChIKeyMRQUAYHZGONEMA-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.93
Rot. Bonds8

About N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 137253326) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID137253326
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCCCNC(=O)CN(C)C(=O)C(C)Sc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O3S/c1-5-6-7-16-13(21)9-19(4)14(22)11(3)23-15-17-10(2)8-12(20)18-15/h8,11H,5-7,9H2,1-4H3,(H,16,21)(H,17,18,20)
InChIKeyMRQUAYHZGONEMA-UHFFFAOYSA-N
XLogP0.93
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid
CID 135702301
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135414576
(2S)-N-[3-(4-chloropyrazol-1-yl)propyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136711858
N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136661997
N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136662359
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 136607679
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
CID 135554801
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
ethyl 4-[[(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate
CID 135829980
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 137098597
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 137253326) is N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is CCCCNC(=O)CN(C)C(=O)C(C)Sc1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is MRQUAYHZGONEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-5-6-7-16-13(21)9-19(4)14(22)11(3)23-15-17-10(2)8-12(20)18-15/h8,11H,5-7,9H2,1-4H3,(H,16,21)(H,17,18,20).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 137253326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).