[4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium

C5H7N4OY- — CID 135992020

IUPAC[4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium
SMILESCNc1cc(=O)[nH]c([NH-])n1.[Y]
InChIInChI=1S/C5H8N4O.Y/c1-7-3-2-4(10)9-5(6)8-3;/h2H,1H3,(H4,6,7,8,9,10);/p-1
InChIKeyBKBIAKRCWUNAIP-UHFFFAOYSA-M
MW228.04 g/mol
LogP0.49
Rot. Bonds1

About [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium

[4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium (PubChem CID 135992020) has the molecular formula C5H7N4OY- and a molecular weight of 228.04 g/mol. Its IUPAC name is [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium.

Molecular Properties

Compound Name[4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium
PubChem CID135992020
Molecular FormulaC5H7N4OY-
Molecular Weight228.04 g/mol
Exact Mass227.97
IUPAC Name[4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium
SMILESCNc1cc(=O)[nH]c([NH-])n1.[Y]
InChIInChI=1S/C5H8N4O.Y/c1-7-3-2-4(10)9-5(6)8-3;/h2H,1H3,(H4,6,7,8,9,10);/p-1
InChIKeyBKBIAKRCWUNAIP-UHFFFAOYSA-M
XLogP0.49
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium?
The IUPAC name of [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium (CID 135992020) is [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium.
What is the SMILES notation for [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium?
The canonical SMILES for [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium is CNc1cc(=O)[nH]c([NH-])n1.[Y].
What is the InChIKey of [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium?
The InChIKey is BKBIAKRCWUNAIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N4O.Y/c1-7-3-2-4(10)9-5(6)8-3;/h2H,1H3,(H4,6,7,8,9,10);/p-1.
What are the key properties of [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium?
[4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium has a molecular weight of 228.04 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-6-oxo-1H-pyrimidin-2-yl]azanide;yttrium is sourced from PubChem (CID 135992020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).