N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C12H19N3O2 — CID 135896885

IUPACN-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-4-5-6-13-11(16)7-10-8(2)14-9(3)15-12(10)17/h4-7H2,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyYPGGRBDBKMQZLD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.85
Rot. Bonds5

About N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135896885) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135896885
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-4-5-6-13-11(16)7-10-8(2)14-9(3)15-12(10)17/h4-7H2,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyYPGGRBDBKMQZLD-UHFFFAOYSA-N
XLogP0.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135896885) is N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CCCCNC(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is YPGGRBDBKMQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-5-6-13-11(16)7-10-8(2)14-9(3)15-12(10)17/h4-7H2,1-3H3,(H,13,16)(H,14,15,17).
What are the key properties of N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135896885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).