N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C14H23N3O4 — CID 84555533

IUPACN-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCOCCCNC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O4/c1-4-5-8-21-9-6-7-15-12(18)11-10-16(2)14(20)17(3)13(11)19/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyNQSUCUCMESEJEZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.02
Rot. Bonds8

About N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84555533) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84555533
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCOCCCNC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O4/c1-4-5-8-21-9-6-7-15-12(18)11-10-16(2)14(20)17(3)13(11)19/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyNQSUCUCMESEJEZ-UHFFFAOYSA-N
XLogP0.02
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
CID 84555556
1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84557715
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30853289
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28722028
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
2-butoxyethyl (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 60540959
2-butoxyethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 102604069
N-butyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025190

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 84555533) is N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is CCCCOCCCNC(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is NQSUCUCMESEJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-5-8-21-9-6-7-15-12(18)11-10-16(2)14(20)17(3)13(11)19/h10H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84555533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).