CID 158493425

C19H24N7Y3-3 — CID 158493425

IUPAC—
SMILESCc1n[c-]c(C)c(C)n1.Cc1n[c-]nc(C)c1C.Cc1n[c-]nc(C)n1.[Y].[Y].[Y]
InChIInChI=1S/2C7H9N2.C5H6N3.3Y/c1-5-6(2)8-4-9-7(5)3;1-5-4-8-7(3)9-6(5)2;1-4-6-3-7-5(2)8-4;;;/h2*1-3H3;1-2H3;;;/q3*-1;;;
InChIKeyUCQGBIGXFWSBQN-UHFFFAOYSA-N
MW617.17 g/mol
LogP2.69
Rot. Bonds

About CID 158493425

CID 158493425 (PubChem CID 158493425) has the molecular formula C19H24N7Y3-3 and a molecular weight of 617.17 g/mol.

Molecular Properties

Compound NameCID 158493425
PubChem CID158493425
Molecular FormulaC19H24N7Y3-3
Molecular Weight617.17 g/mol
Exact Mass616.93
IUPAC Name—
SMILESCc1n[c-]c(C)c(C)n1.Cc1n[c-]nc(C)c1C.Cc1n[c-]nc(C)n1.[Y].[Y].[Y]
InChIInChI=1S/2C7H9N2.C5H6N3.3Y/c1-5-6(2)8-4-9-7(5)3;1-5-4-8-7(3)9-6(5)2;1-4-6-3-7-5(2)8-4;;;/h2*1-3H3;1-2H3;;;/q3*-1;;;
InChIKeyUCQGBIGXFWSBQN-UHFFFAOYSA-N
XLogP2.69
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

carbanide;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 58651167
2,3,4-trimethylpent-2-ene;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 59882463
acetylene;methane;bis(2,4,6-trimethyl-5H-pyrimidin-5-ide);bis(yttrium)
CID 160844242
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide;4,5,6-trimethyl-2H-pyrimidin-2-ide;bis(yttrium)
CID 161116994
carbanide;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium(3+)
CID 21034561

Frequently Asked Questions

What is the IUPAC name of CID 158493425?
The IUPAC name of CID 158493425 (CID 158493425) is not available.
What is the SMILES notation for CID 158493425?
The canonical SMILES for CID 158493425 is Cc1n[c-]c(C)c(C)n1.Cc1n[c-]nc(C)c1C.Cc1n[c-]nc(C)n1.[Y].[Y].[Y].
What is the InChIKey of CID 158493425?
The InChIKey is UCQGBIGXFWSBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N2.C5H6N3.3Y/c1-5-6(2)8-4-9-7(5)3;1-5-4-8-7(3)9-6(5)2;1-4-6-3-7-5(2)8-4;;;/h2*1-3H3;1-2H3;;;/q3*-1;;;.
What are the key properties of CID 158493425?
CID 158493425 has a molecular weight of 617.17 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158493425 is sourced from PubChem (CID 158493425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).