2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide

C12H19N3O4 — CID 61245622

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-7(2)3-9(6-16)13-10(17)4-8-5-11(18)15-12(19)14-8/h5,7,9,16H,3-4,6H2,1-2H3,(H,13,17)(H2,14,15,18,19)
InChIKeyDDIGOKKFIFLCPA-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.87
Rot. Bonds6

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (PubChem CID 61245622) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
PubChem CID61245622
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-7(2)3-9(6-16)13-10(17)4-8-5-11(18)15-12(19)14-8/h5,7,9,16H,3-4,6H2,1-2H3,(H,13,17)(H2,14,15,18,19)
InChIKeyDDIGOKKFIFLCPA-UHFFFAOYSA-N
XLogP-0.87
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CID 61245622) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is CC(C)CC(CO)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The InChIKey is DDIGOKKFIFLCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7(2)3-9(6-16)13-10(17)4-8-5-11(18)15-12(19)14-8/h5,7,9,16H,3-4,6H2,1-2H3,(H,13,17)(H2,14,15,18,19).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 61245622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).