N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H15N3O3 — CID 121025190

IUPACN-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-4-5-11-8(14)7-6-12-10(16)13(2)9(7)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,16)
InChIKeyNNVDOAKPMXPHGE-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.40
Rot. Bonds4

About N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025190) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025190
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-4-5-11-8(14)7-6-12-10(16)13(2)9(7)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,16)
InChIKeyNNVDOAKPMXPHGE-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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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025190) is N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCCCNC(=O)c1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NNVDOAKPMXPHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-5-11-8(14)7-6-12-10(16)13(2)9(7)15/h6H,3-5H2,1-2H3,(H,11,14)(H,12,16).
What are the key properties of N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-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-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).