N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide

C10H15N3O3 — CID 30766948

IUPACN-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-5-11-9(15)7-13-6-4-8(14)12-10(13)16/h4,6H,2-3,5,7H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyNXSYZVDVMOIXNZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.55
Rot. Bonds5

About N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 30766948) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID30766948
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-5-11-9(15)7-13-6-4-8(14)12-10(13)16/h4,6H,2-3,5,7H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyNXSYZVDVMOIXNZ-UHFFFAOYSA-N
XLogP-0.55
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyluracil
CID 4183135
1,3-Dimethyl-6-(propylamino)pyrimidine-2,4-dione
CID 2262138
Stk249703
CID 4637181
N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 10198639
N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654967
6-Amino-1-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2428996
3-((2-Pyrrolidine-1-yl)-ethyl)uracil
CID 49845542
5-(Dimethylamino)uracil
CID 255552
N-hexyl-5-methylamino-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654964
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
6-(butylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 2262624
N-butyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655044

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 30766948) is N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide is CCCCNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is NXSYZVDVMOIXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-5-11-9(15)7-13-6-4-8(14)12-10(13)16/h4,6H,2-3,5,7H2,1H3,(H,11,15)(H,12,14,16).
What are the key properties of N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 30766948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).