6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium

C5H5ClN3Y- — CID 58956290

IUPAC6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium
SMILESCc1[c-]nc(N)nc1Cl.[Y]
InChIInChI=1S/C5H5ClN3.Y/c1-3-2-8-5(7)9-4(3)6;/h1H3,(H2,7,8,9);/q-1;
InChIKeyJUXIYLCIDHSWNA-UHFFFAOYSA-N
MW231.47 g/mol
LogP0.82
Rot. Bonds

About 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium

6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium (PubChem CID 58956290) has the molecular formula C5H5ClN3Y- and a molecular weight of 231.47 g/mol. Its IUPAC name is 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium.

Molecular Properties

Compound Name6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium
PubChem CID58956290
Molecular FormulaC5H5ClN3Y-
Molecular Weight231.47 g/mol
Exact Mass230.92
IUPAC Name6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium
SMILESCc1[c-]nc(N)nc1Cl.[Y]
InChIInChI=1S/C5H5ClN3.Y/c1-3-2-8-5(7)9-4(3)6;/h1H3,(H2,7,8,9);/q-1;
InChIKeyJUXIYLCIDHSWNA-UHFFFAOYSA-N
XLogP0.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.47
LogP ≤ 50.82
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 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium?
The IUPAC name of 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium (CID 58956290) is 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium.
What is the SMILES notation for 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium?
The canonical SMILES for 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium is Cc1[c-]nc(N)nc1Cl.[Y].
What is the InChIKey of 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium?
The InChIKey is JUXIYLCIDHSWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN3.Y/c1-3-2-8-5(7)9-4(3)6;/h1H3,(H2,7,8,9);/q-1;.
What are the key properties of 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium?
6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium has a molecular weight of 231.47 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-4H-pyrimidin-4-id-2-amine;yttrium is sourced from PubChem (CID 58956290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).