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

C11H17N2Y- — CID 58763092

IUPAC4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium
SMILESCC1=[C-]C(=C(C)C)N(C(C)C)C=N1.[Y]
InChIInChI=1S/C11H17N2.Y/c1-8(2)11-6-10(5)12-7-13(11)9(3)4;/h7,9H,1-5H3;/q-1;
InChIKeyDVGFMFYGQVTPFE-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.74
Rot. Bonds1

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

4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium (PubChem CID 58763092) has the molecular formula C11H17N2Y- and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium
PubChem CID58763092
Molecular FormulaC11H17N2Y-
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Name4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium
SMILESCC1=[C-]C(=C(C)C)N(C(C)C)C=N1.[Y]
InChIInChI=1S/C11H17N2.Y/c1-8(2)11-6-10(5)12-7-13(11)9(3)4;/h7,9H,1-5H3;/q-1;
InChIKeyDVGFMFYGQVTPFE-UHFFFAOYSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.74
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

N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
CID 139924793
1-Propan-2-yl-6-propan-2-ylidenepyrimidine
CID 166004112
4-Methyl-1-propan-2-yl-6-propan-2-ylidenepyrimidine
CID 58763093
5-Methylidene-1-propan-2-yl-4-propan-2-ylideneimidazole
CID 141941485

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium?
The IUPAC name of 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium (CID 58763092) is 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium.
What is the SMILES notation for 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium?
The canonical SMILES for 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium is CC1=[C-]C(=C(C)C)N(C(C)C)C=N1.[Y].
What is the InChIKey of 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium?
The InChIKey is DVGFMFYGQVTPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2.Y/c1-8(2)11-6-10(5)12-7-13(11)9(3)4;/h7,9H,1-5H3;/q-1;.
What are the key properties of 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium?
4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium has a molecular weight of 266.18 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium is sourced from PubChem (CID 58763092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).