N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide

C12H19N3O2 — CID 68974383

IUPACN-(1-hexyl-2-oxopyrimidin-4-yl)acetamide
SMILESCCCCCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C12H19N3O2/c1-3-4-5-6-8-15-9-7-11(13-10(2)16)14-12(15)17/h7,9H,3-6,8H2,1-2H3,(H,13,14,16,17)
InChIKeyKITWJQRVCHRREH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds6

About N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide

N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide (PubChem CID 68974383) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-hexyl-2-oxopyrimidin-4-yl)acetamide
PubChem CID68974383
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-hexyl-2-oxopyrimidin-4-yl)acetamide
SMILESCCCCCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C12H19N3O2/c1-3-4-5-6-8-15-9-7-11(13-10(2)16)14-12(15)17/h7,9H,3-6,8H2,1-2H3,(H,13,14,16,17)
InChIKeyKITWJQRVCHRREH-UHFFFAOYSA-N
XLogP1.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide?
The IUPAC name of N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide (CID 68974383) is N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide is CCCCCCn1ccc(NC(C)=O)nc1=O.
What is the InChIKey of N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide?
The InChIKey is KITWJQRVCHRREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-5-6-8-15-9-7-11(13-10(2)16)14-12(15)17/h7,9H,3-6,8H2,1-2H3,(H,13,14,16,17).
What are the key properties of N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide?
N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-2-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 68974383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).