2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide

C11H17N3O3 — CID 43500358

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCCCO
InChIInChI=1S/C11H17N3O3/c1-7-9(8(2)14-11(17)13-7)6-10(16)12-4-3-5-15/h15H,3-6H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyMVOAUUGDRFFEQM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.57
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide (PubChem CID 43500358) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
PubChem CID43500358
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCCCO
InChIInChI=1S/C11H17N3O3/c1-7-9(8(2)14-11(17)13-7)6-10(16)12-4-3-5-15/h15H,3-6H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyMVOAUUGDRFFEQM-UHFFFAOYSA-N
XLogP-0.57
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 106154787
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108393
N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 106167923
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
CID 62674437
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114476
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866602
(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821788
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61022406
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106166621
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79253049
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500431

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide (CID 43500358) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCCCO.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is MVOAUUGDRFFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-9(8(2)14-11(17)13-7)6-10(16)12-4-3-5-15/h15H,3-6H2,1-2H3,(H,12,16)(H,13,14,17).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43500358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).