2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium

C6H8N3Y- — CID 58291751

IUPAC2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium
SMILESCc1[c-]c(N)nc(C)n1.[Y]
InChIInChI=1S/C6H8N3.Y/c1-4-3-6(7)9-5(2)8-4;/h1-2H3,(H2,7,8,9);/q-1;
InChIKeyPSOVQRSKOOAVPC-UHFFFAOYSA-N
MW211.06 g/mol
LogP0.47
Rot. Bonds

About 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium

2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium (PubChem CID 58291751) has the molecular formula C6H8N3Y- and a molecular weight of 211.06 g/mol. Its IUPAC name is 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium.

Molecular Properties

Compound Name2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium
PubChem CID58291751
Molecular FormulaC6H8N3Y-
Molecular Weight211.06 g/mol
Exact Mass210.98
IUPAC Name2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium
SMILESCc1[c-]c(N)nc(C)n1.[Y]
InChIInChI=1S/C6H8N3.Y/c1-4-3-6(7)9-5(2)8-4;/h1-2H3,(H2,7,8,9);/q-1;
InChIKeyPSOVQRSKOOAVPC-UHFFFAOYSA-N
XLogP0.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium?
The IUPAC name of 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium (CID 58291751) is 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium.
What is the SMILES notation for 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium?
The canonical SMILES for 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium is Cc1[c-]c(N)nc(C)n1.[Y].
What is the InChIKey of 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium?
The InChIKey is PSOVQRSKOOAVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3.Y/c1-4-3-6(7)9-5(2)8-4;/h1-2H3,(H2,7,8,9);/q-1;.
What are the key properties of 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium?
2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium has a molecular weight of 211.06 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5H-pyrimidin-5-id-4-amine;yttrium is sourced from PubChem (CID 58291751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).