6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium

C11H19N2Y- — CID 58763049

IUPAC6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium
SMILESCC1=[C-]C(=C(C)C)N(C(C)C)CN1.[Y]
InChIInChI=1S/C11H19N2.Y/c1-8(2)11-6-10(5)12-7-13(11)9(3)4;/h9,12H,7H2,1-5H3;/q-1;
InChIKeyKIYSMFXPKGQXAX-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.26
Rot. Bonds1

About 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium

6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium (PubChem CID 58763049) has the molecular formula C11H19N2Y- and a molecular weight of 268.19 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium
PubChem CID58763049
Molecular FormulaC11H19N2Y-
Molecular Weight268.19 g/mol
Exact Mass268.06
IUPAC Name6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium
SMILESCC1=[C-]C(=C(C)C)N(C(C)C)CN1.[Y]
InChIInChI=1S/C11H19N2.Y/c1-8(2)11-6-10(5)12-7-13(11)9(3)4;/h9,12H,7H2,1-5H3;/q-1;
InChIKeyKIYSMFXPKGQXAX-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium?
The IUPAC name of 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium (CID 58763049) is 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium.
What is the SMILES notation for 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium?
The canonical SMILES for 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium is CC1=[C-]C(=C(C)C)N(C(C)C)CN1.[Y].
What is the InChIKey of 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium?
The InChIKey is KIYSMFXPKGQXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2.Y/c1-8(2)11-6-10(5)12-7-13(11)9(3)4;/h9,12H,7H2,1-5H3;/q-1;.
What are the key properties of 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium?
6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium has a molecular weight of 268.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-4-propan-2-ylidene-2,5-dihydro-1H-pyrimidin-5-ide;yttrium is sourced from PubChem (CID 58763049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).