N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide

C12H19N3O3 — CID 103771244

IUPACN-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)6-10(16)7-14-11(17)8-15-5-3-4-13-12(15)18/h3-5,9-10,16H,6-8H2,1-2H3,(H,14,17)
InChIKeySUAPYOGCZGDUPM-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.23
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 103771244) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID103771244
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)6-10(16)7-14-11(17)8-15-5-3-4-13-12(15)18/h3-5,9-10,16H,6-8H2,1-2H3,(H,14,17)
InChIKeySUAPYOGCZGDUPM-UHFFFAOYSA-N
XLogP-0.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 103771244) is N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide is CC(C)CC(O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is SUAPYOGCZGDUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)6-10(16)7-14-11(17)8-15-5-3-4-13-12(15)18/h3-5,9-10,16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 253.30 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103771244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).