[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium

C10H19N4O2+ — CID 10515656

IUPAC[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)Cn1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O2/c1-14(2,3)7-8(15)6-13-5-4-9(11)12-10(13)16/h4-5,8,15H,6-7H2,1-3H3,(H-,11,12,16)/p+1
InChIKeyUPSYJTRNDPQRKK-UHFFFAOYSA-O
MW227.29 g/mol
LogP-1.11
Rot. Bonds4

About [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium

[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium (PubChem CID 10515656) has the molecular formula C10H19N4O2+ and a molecular weight of 227.29 g/mol. Its IUPAC name is [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
PubChem CID10515656
Molecular FormulaC10H19N4O2+
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)Cn1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O2/c1-14(2,3)7-8(15)6-13-5-4-9(11)12-10(13)16/h4-5,8,15H,6-7H2,1-3H3,(H-,11,12,16)/p+1
InChIKeyUPSYJTRNDPQRKK-UHFFFAOYSA-O
XLogP-1.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-1-[(2S)-2,4-dihydroxybutyl]pyrimidin-2-one
CID 102443241
4-amino-1-(5-amino-3,4,6-trihydroxy-2-methylhexyl)pyrimidin-2-one
CID 123396740
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
CID 58922325
4-amino-1-[3-hydroxy-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 57318291
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;sulfane
CID 157233007
[[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]amino]methylphosphonic acid
CID 11565998
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-hydroxy-oxophosphanium
CID 90431923
4-amino-1-[3-hydroxy-2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]pyrimidin-2-one
CID 141054524
4-amino-1-[3-fluoro-2-(phosphanylmethoxy)propyl]pyrimidin-2-one
CID 67643437
(2S,3R)-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxybutanoic acid
CID 101005574

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium?
The IUPAC name of [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium (CID 10515656) is [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium.
What is the SMILES notation for [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium?
The canonical SMILES for [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium is C[N+](C)(C)CC(O)Cn1ccc(N)nc1=O.
What is the InChIKey of [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium?
The InChIKey is UPSYJTRNDPQRKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N4O2/c1-14(2,3)7-8(15)6-13-5-4-9(11)12-10(13)16/h4-5,8,15H,6-7H2,1-3H3,(H-,11,12,16)/p+1.
What are the key properties of [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium?
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium has a molecular weight of 227.29 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium is sourced from PubChem (CID 10515656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).