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

C10H14N2Y-2 — CID 59890256

IUPAC6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium
SMILESC/[C-]=C(\C)C1=[C-]CN=C(C)N1C.[Y]
InChIInChI=1S/C10H14N2.Y/c1-5-8(2)10-6-7-11-9(3)12(10)4;/h7H2,1-4H3;/q-2;
InChIKeyZQQNYOZYNGECPK-UHFFFAOYSA-N
MW251.14 g/mol
LogP1.80
Rot. Bonds1

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

6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium (PubChem CID 59890256) has the molecular formula C10H14N2Y-2 and a molecular weight of 251.14 g/mol. Its IUPAC name is 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium.

Molecular Properties

Compound Name6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium
PubChem CID59890256
Molecular FormulaC10H14N2Y-2
Molecular Weight251.14 g/mol
Exact Mass251.02
IUPAC Name6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium
SMILESC/[C-]=C(\C)C1=[C-]CN=C(C)N1C.[Y]
InChIInChI=1S/C10H14N2.Y/c1-5-8(2)10-6-7-11-9(3)12(10)4;/h7H2,1-4H3;/q-2;
InChIKeyZQQNYOZYNGECPK-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

3,4,8,9-Tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
CID 54528064
2,3,6,7-tetramethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 57560714
4,5,6,7-tetramethyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 57560726
rhodium;4,5,6-trimethyl-7-propan-2-yl-2H-pyrrolo[2,3-d]pyrimidin-2-ide
CID 58944573
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708911
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926
5-But-2-en-2-yl-1,2-dimethyl-4,6-dihydropyrimidin-6-ide;yttrium
CID 59890251
6-but-2-en-2-yl-2-methyl-4,5-dihydro-1H-pyrimidin-5-ide;yttrium
CID 59890254
5,6-Di(ethylidene)-2-methyl-1,4-dihydropyrimidine;yttrium
CID 59890257
5,6-di(ethylidene)-1,2-dimethyl-4H-pyrimidine;yttrium
CID 59890259
2,3,4,5,6-pentamethyl-4H-pyrimidine
CID 70522581

Frequently Asked Questions

What is the IUPAC name of 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium?
The IUPAC name of 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium (CID 59890256) is 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium.
What is the SMILES notation for 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium?
The canonical SMILES for 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium is C/[C-]=C(\C)C1=[C-]CN=C(C)N1C.[Y].
What is the InChIKey of 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium?
The InChIKey is ZQQNYOZYNGECPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.Y/c1-5-8(2)10-6-7-11-9(3)12(10)4;/h7H2,1-4H3;/q-2;.
What are the key properties of 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium?
6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-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 6-but-2-en-2-yl-1,2-dimethyl-4,5-dihydropyrimidin-5-ide;yttrium is sourced from PubChem (CID 59890256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).