N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide

C12H19N3O3 — CID 100978307

IUPACN-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(CCCCCCO)c(=O)n1
InChIInChI=1S/C12H19N3O3/c1-10(17)13-11-6-8-15(12(18)14-11)7-4-2-3-5-9-16/h6,8,16H,2-5,7,9H2,1H3,(H,13,14,17,18)
InChIKeyOHEDVEUDMDUCIN-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.75
Rot. Bonds7

About N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide

N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide (PubChem CID 100978307) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide
PubChem CID100978307
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(CCCCCCO)c(=O)n1
InChIInChI=1S/C12H19N3O3/c1-10(17)13-11-6-8-15(12(18)14-11)7-4-2-3-5-9-16/h6,8,16H,2-5,7,9H2,1H3,(H,13,14,17,18)
InChIKeyOHEDVEUDMDUCIN-UHFFFAOYSA-N
XLogP0.75
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Amino-1-(3,6-dihydroxyhexyl)pyrimidin-2-one
CID 44461481
4-Amino-1-(6-hydroxyhexyl)pyrimidin-2-one
CID 10822386
1-Hexyl-3-[1-(6-hydroxy-hexyl)-2-oxo-1,2-dihydro-pyrimidinyl]-urea
CID 68972726
N-(1-Hexyl-2-oxo-1,2-dihydro-pyrimidin-4-yl)-acetamide
CID 68974383
4-Amino-1-(8-hydroxyoctyl)pyrimidin-2-one
CID 69821943
N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide
CID 70866379
N-[1-(5-ethyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
CID 91255616
N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide
CID 123374621
4-Amino-1-(1-hydroxy-4-methylhexyl)pyrimidin-2-one
CID 123590345
N-[1-[5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 139418553
N-[1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 173820105
N-[1-[(2R)-5-(2-hydroxyethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 173820147

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide (CID 100978307) is N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn(CCCCCCO)c(=O)n1.
What is the InChIKey of N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is OHEDVEUDMDUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-10(17)13-11-6-8-15(12(18)14-11)7-4-2-3-5-9-16/h6,8,16H,2-5,7,9H2,1H3,(H,13,14,17,18).
What are the key properties of N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide?
N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 100978307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).