2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide

C12H20N4O2 — CID 53201756

IUPAC2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(N)nc(CC)cc1=O
InChIInChI=1S/C12H20N4O2/c1-3-5-6-14-10(17)8-16-11(18)7-9(4-2)15-12(16)13/h7H,3-6,8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQZLDCJRTSBLANO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.30
Rot. Bonds6

About 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide

2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide (PubChem CID 53201756) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide
PubChem CID53201756
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(N)nc(CC)cc1=O
InChIInChI=1S/C12H20N4O2/c1-3-5-6-14-10(17)8-16-11(18)7-9(4-2)15-12(16)13/h7H,3-6,8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQZLDCJRTSBLANO-UHFFFAOYSA-N
XLogP0.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.30
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide (CID 53201756) is 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide is CCCCNC(=O)Cn1c(N)nc(CC)cc1=O.
What is the InChIKey of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
The InChIKey is QZLDCJRTSBLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-5-6-14-10(17)8-16-11(18)7-9(4-2)15-12(16)13/h7H,3-6,8H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-butylacetamide is sourced from PubChem (CID 53201756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).