(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium

C10H19N4O+ — CID 123671048

IUPAC(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium
SMILESCCCC[N+](C)(C)n1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O/c1-4-5-8-14(2,3)13-7-6-9(11)12-10(13)15/h6-7H,4-5,8H2,1-3H3,(H-,11,12,15)/p+1
InChIKeyUYBCCODJUIRAGD-UHFFFAOYSA-O
MW211.29 g/mol
LogP0.32
Rot. Bonds4

About (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium

(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium (PubChem CID 123671048) has the molecular formula C10H19N4O+ and a molecular weight of 211.29 g/mol. Its IUPAC name is (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium.

Molecular Properties

Compound Name(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium
PubChem CID123671048
Molecular FormulaC10H19N4O+
Molecular Weight211.29 g/mol
Exact Mass211.16
IUPAC Name(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium
SMILESCCCC[N+](C)(C)n1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O/c1-4-5-8-14(2,3)13-7-6-9(11)12-10(13)15/h6-7H,4-5,8H2,1-3H3,(H-,11,12,15)/p+1
InChIKeyUYBCCODJUIRAGD-UHFFFAOYSA-O
XLogP0.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
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4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
CID 155393177
4-amino-1-[(1S)-1-pentoxyprop-2-enyl]pyrimidin-2-one
CID 142510049
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
CID 145434228
4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one
CID 167149217
4-amino-1-[5-butyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 78137269
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(icosoxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 22792056
4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
CID 69107893

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium?
The IUPAC name of (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium (CID 123671048) is (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium.
What is the SMILES notation for (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium?
The canonical SMILES for (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium is CCCC[N+](C)(C)n1ccc(N)nc1=O.
What is the InChIKey of (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium?
The InChIKey is UYBCCODJUIRAGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N4O/c1-4-5-8-14(2,3)13-7-6-9(11)12-10(13)15/h6-7H,4-5,8H2,1-3H3,(H-,11,12,15)/p+1.
What are the key properties of (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium?
(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium has a molecular weight of 211.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium is sourced from PubChem (CID 123671048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).