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

C14H23N3O3 — CID 106154787

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCCCC(C)CO
InChIInChI=1S/C14H23N3O3/c1-9(8-18)5-4-6-15-13(19)7-12-10(2)16-14(20)17-11(12)3/h9,18H,4-8H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeySKSAYXUQCUCAHR-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.45
Rot. Bonds7

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 106154787) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID106154787
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCCCC(C)CO
InChIInChI=1S/C14H23N3O3/c1-9(8-18)5-4-6-15-13(19)7-12-10(2)16-14(20)17-11(12)3/h9,18H,4-8H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeySKSAYXUQCUCAHR-UHFFFAOYSA-N
XLogP0.45
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.45
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-(3-hydroxypropyl)acetamide
CID 43500358
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108393
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
CID 62674437
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79253049
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-(1-hydroxybutan-2-yl)acetamide
CID 43500431
N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 106167923
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66181059
N-(5-hydroxy-4-methylpentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 113340842
(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821788
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate
CID 60693490
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114476

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 106154787) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCCCC(C)CO.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is SKSAYXUQCUCAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(8-18)5-4-6-15-13(19)7-12-10(2)16-14(20)17-11(12)3/h9,18H,4-8H2,1-3H3,(H,15,19)(H,16,17,20).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.45, 7 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-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 106154787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).