4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium

C11H15N2Y- — CID 58291705

IUPAC4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium
SMILESC/C=C(\CC)c1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C11H15N2.Y/c1-5-10(6-2)11-12-8(3)7-9(4)13-11;/h5H,6H2,1-4H3;/q-1;/b10-5+;
InChIKeyBYDOMQNOUPRHNW-OAZHBLANSA-N
MW264.16 g/mol
LogP2.70
Rot. Bonds2

About 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium

4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium (PubChem CID 58291705) has the molecular formula C11H15N2Y- and a molecular weight of 264.16 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium.

Molecular Properties

Compound Name4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium
PubChem CID58291705
Molecular FormulaC11H15N2Y-
Molecular Weight264.16 g/mol
Exact Mass264.03
IUPAC Name4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium
SMILESC/C=C(\CC)c1nc(C)[c-]c(C)n1.[Y]
InChIInChI=1S/C11H15N2.Y/c1-5-10(6-2)11-12-8(3)7-9(4)13-11;/h5H,6H2,1-4H3;/q-1;/b10-5+;
InChIKeyBYDOMQNOUPRHNW-OAZHBLANSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.70
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

2-(2,5-dimethyl-3H-pyrrol-4-yl)-4,6-dimethyl-5H-pyrimidin-5-ide;yttrium
CID 58291649
2,4-dimethyl-6-prop-1-enyl-5H-pyrimidin-5-ide;vanadium;yttrium
CID 58291652
4,6-dimethyl-2-[(E)-prop-1-enyl]-5H-pyrimidin-5-ide;yttrium
CID 58291692
carbanide;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 58651167
4,6,7-trimethyl-2H-pyrido[3,2-d]pyrimidin-2-ide;yttrium
CID 60069030
(4E,5E)-4,5-di(ethylidene)-2,6-dimethylpyrimidine
CID 130351162
(4aE,6Z,8E,10E)-2,4-dimethylcycloocta[d]pyrimidine
CID 144016650
(5E)-2,4-dimethyl-6-methylidene-5-prop-2-enylidenepyrimidine
CID 145321676
2-[(Z)-but-2-en-2-yl]imino-5-methyl-3H-pyridin-6-amine
CID 169640447
N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane
CID 177040879
4,6,7-trimethyl-2H-pyrido[3,2-d]pyrimidin-2-ide;yttrium(3+)
CID 20626534
carbanide;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium(3+)
CID 21034561

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium?
The IUPAC name of 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium (CID 58291705) is 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium.
What is the SMILES notation for 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium?
The canonical SMILES for 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium is C/C=C(\CC)c1nc(C)[c-]c(C)n1.[Y].
What is the InChIKey of 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium?
The InChIKey is BYDOMQNOUPRHNW-OAZHBLANSA-N. The full InChI is InChI=1S/C11H15N2.Y/c1-5-10(6-2)11-12-8(3)7-9(4)13-11;/h5H,6H2,1-4H3;/q-1;/b10-5+;.
What are the key properties of 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium?
4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium has a molecular weight of 264.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium is sourced from PubChem (CID 58291705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).