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

C14H23N3O3 — CID 61246345

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H23N3O3/c1-8(2)5-11(7-18)17-13(19)6-12-9(3)15-14(20)16-10(12)4/h8,11,18H,5-7H2,1-4H3,(H,17,19)(H,15,16,20)
InChIKeyZQJCRYWICVWXIP-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.45
Rot. Bonds6

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (PubChem CID 61246345) 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-(1-hydroxy-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
PubChem CID61246345
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H23N3O3/c1-8(2)5-11(7-18)17-13(19)6-12-9(3)15-14(20)16-10(12)4/h8,11,18H,5-7H2,1-4H3,(H,17,19)(H,15,16,20)
InChIKeyZQJCRYWICVWXIP-UHFFFAOYSA-N
XLogP0.45
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CID 61246345) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NC(CO)CC(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The InChIKey is ZQJCRYWICVWXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(2)5-11(7-18)17-13(19)6-12-9(3)15-14(20)16-10(12)4/h8,11,18H,5-7H2,1-4H3,(H,17,19)(H,15,16,20).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.45, 6 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-(1-hydroxy-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 61246345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).