N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide

C10H15N3O3 — CID 123374621

IUPACN-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C(O)C(C)C)c(=O)n1
InChIInChI=1S/C10H15N3O3/c1-6(2)9(15)13-5-4-8(11-7(3)14)12-10(13)16/h4-6,9,15H,1-3H3,(H,11,12,14,16)
InChIKeyQHTPGJULHRHEKY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.35
Rot. Bonds3

About N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide

N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide (PubChem CID 123374621) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide
PubChem CID123374621
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C(O)C(C)C)c(=O)n1
InChIInChI=1S/C10H15N3O3/c1-6(2)9(15)13-5-4-8(11-7(3)14)12-10(13)16/h4-6,9,15H,1-3H3,(H,11,12,14,16)
InChIKeyQHTPGJULHRHEKY-UHFFFAOYSA-N
XLogP0.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 134382879
N-(1-Ethyl-2-oxo-1,2-dihydro-4-pyrimidinyl)acetamide
CID 45119271
N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide
CID 100978307
4-Amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one
CID 10104210
2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide
CID 21344765
2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide
CID 22952698
N-(1-butan-2-yl-2-oxopyrimidin-4-yl)-2-methylpropanamide
CID 22964991
4-amino-1-[(2S)-3-hydroxy-2-methylpropyl]pyrimidin-2-one
CID 68017916
4-Amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-2-one
CID 77387379
(2S,3R)-2-((4-Acetamido-2-oxo-pyrimidin-1(2H)-yl)methyl)butane-1,3-diol
CID 90410776
(2R,3R)-2-((4-Acetamido-2-oxo-pyrimidin-1(2H)-yl)methyl)butane-1,3-diol
CID 90411135
N-(1-iodo-2-oxopyrimidin-4-yl)-2-methylpropanamide
CID 134560124

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide (CID 123374621) is N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn(C(O)C(C)C)c(=O)n1.
What is the InChIKey of N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is QHTPGJULHRHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)9(15)13-5-4-8(11-7(3)14)12-10(13)16/h4-6,9,15H,1-3H3,(H,11,12,14,16).
What are the key properties of N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide?
N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 225.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 123374621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).