5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium

C10H14N2Y-2 — CID 59890251

IUPAC5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium
SMILESC/[C-]=C(\C)C1=[C-]N(C)C(C)=NC1.[Y]
InChIInChI=1S/C10H14N2.Y/c1-5-8(2)10-6-11-9(3)12(4)7-10;/h6H2,1-4H3;/q-2;
InChIKeyKBCBHNJQHNCAHW-UHFFFAOYSA-N
MW251.14 g/mol
LogP1.80
Rot. Bonds1

About 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium

5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium (PubChem CID 59890251) has the molecular formula C10H14N2Y-2 and a molecular weight of 251.14 g/mol. Its IUPAC name is 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium.

Molecular Properties

Compound Name5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium
PubChem CID59890251
Molecular FormulaC10H14N2Y-2
Molecular Weight251.14 g/mol
Exact Mass251.02
IUPAC Name5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium
SMILESC/[C-]=C(\C)C1=[C-]N(C)C(C)=NC1.[Y]
InChIInChI=1S/C10H14N2.Y/c1-5-8(2)10-6-11-9(3)12(4)7-10;/h6H2,1-4H3;/q-2;
InChIKeyKBCBHNJQHNCAHW-UHFFFAOYSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-But-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium
CID 59890256
5,6-di(ethylidene)-1,2-dimethyl-4H-pyrimidine;yttrium
CID 59890259
1-(2-methanidylidene-3-methylpent-3-enyl)imino-N,N-dimethylmethanamine;bis(yttrium)
CID 59952992

Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium?
The IUPAC name of 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium (CID 59890251) is 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium.
What is the SMILES notation for 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium?
The canonical SMILES for 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium is C/[C-]=C(\C)C1=[C-]N(C)C(C)=NC1.[Y].
What is the InChIKey of 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium?
The InChIKey is KBCBHNJQHNCAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.Y/c1-5-8(2)10-6-11-9(3)12(4)7-10;/h6H2,1-4H3;/q-2;.
What are the key properties of 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium?
5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium has a molecular weight of 251.14 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium is sourced from PubChem (CID 59890251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).