N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C10H15N3O3 — CID 25185739

IUPACN-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-4-5-11-8(14)7-6-13(2)10(16)12-9(7)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,15,16)
InChIKeyWFPKUBDLTAWSQG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.40
Rot. Bonds4

About N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 25185739) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID25185739
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-4-5-11-8(14)7-6-13(2)10(16)12-9(7)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,15,16)
InChIKeyWFPKUBDLTAWSQG-UHFFFAOYSA-N
XLogP-0.40
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.40
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

N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025190
N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 66522821
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 156724431
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77084061
N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 146131432
3-(difluoromethyl)-3-[(1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]pentanoic acid
CID 166336736
1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide
CID 154775362
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 91773021
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219
(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397499

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 25185739) is N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide is CCCCNC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is WFPKUBDLTAWSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-5-11-8(14)7-6-13(2)10(16)12-9(7)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,15,16).
What are the key properties of N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 25185739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).