(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium

C5H8N5O3+ — CID 163798365

IUPAC(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium
SMILESNC1=NC(=O)C(NC([NH3+])=O)C(=O)N1
InChIInChI=1S/C5H7N5O3/c6-4-9-2(11)1(3(12)10-4)8-5(7)13/h1H,(H3,7,8,13)(H3,6,9,10,11,12)/p+1
InChIKeyNCULITOVIKCFNW-UHFFFAOYSA-O
MW186.15 g/mol
LogP-3.72
Rot. Bonds1

About (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium

(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium (PubChem CID 163798365) has the molecular formula C5H8N5O3+ and a molecular weight of 186.15 g/mol. Its IUPAC name is (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium.

Molecular Properties

Compound Name(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium
PubChem CID163798365
Molecular FormulaC5H8N5O3+
Molecular Weight186.15 g/mol
Exact Mass186.06
IUPAC Name(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium
SMILESNC1=NC(=O)C(NC([NH3+])=O)C(=O)N1
InChIInChI=1S/C5H7N5O3/c6-4-9-2(11)1(3(12)10-4)8-5(7)13/h1H,(H3,7,8,13)(H3,6,9,10,11,12)/p+1
InChIKeyNCULITOVIKCFNW-UHFFFAOYSA-O
XLogP-3.72
TPSA141.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 5-3.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
1,3,4,5-Tetrahydropurine-2,6-dione
CID 9855531
4,6(1H,5H)-Pyrimidinedione, 2,5-diamino-(6CI,7CI,9CI)
CID 446311
(4-Hydroxy-2,6-diimino-1,2,5,6-tetrahydropyrimidin-5-yl)methanimidic acid
CID 139031186
(4R,5R)-3,4,5,7-tetrahydropurine-2,6-dione
CID 3086084
(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one
CID 642680
2-Amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
CID 57336529
2-Amino-5,7-dihydro-3H-purin-6(4H)-one
CID 3303015
Urea, [1,4,5,6-tetrahydro-5-(methylamino)-4-oxo-2-pyrimidinyl]-
CID 10607569
3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide
CID 10729747
[(5S)-5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
CID 11458107
2,5-Diamino-5,6-dihydropyrimidin-4(1H)-one
CID 12736612

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium?
The IUPAC name of (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium (CID 163798365) is (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium.
What is the SMILES notation for (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium?
The canonical SMILES for (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium is NC1=NC(=O)C(NC([NH3+])=O)C(=O)N1.
What is the InChIKey of (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium?
The InChIKey is NCULITOVIKCFNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N5O3/c6-4-9-2(11)1(3(12)10-4)8-5(7)13/h1H,(H3,7,8,13)(H3,6,9,10,11,12)/p+1.
What are the key properties of (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium?
(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium has a molecular weight of 186.15 g/mol, XLogP of -3.72, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium is sourced from PubChem (CID 163798365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).