4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium

C15H18IrN3- — CID 158933592

IUPAC4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium
SMILES[CH2-]c1ccnc(C)c1-c1cc(C(C)(C)C)ncn1.[Ir]
InChIInChI=1S/C15H18N3.Ir/c1-10-6-7-16-11(2)14(10)12-8-13(15(3,4)5)18-9-17-12;/h6-9H,1H2,2-5H3;/q-1;
InChIKeyZGFVSUWKSFYSNC-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.32
Rot. Bonds1

About 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium

4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium (PubChem CID 158933592) has the molecular formula C15H18IrN3- and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium.

Molecular Properties

Compound Name4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium
PubChem CID158933592
Molecular FormulaC15H18IrN3-
Molecular Weight432.55 g/mol
Exact Mass433.11
IUPAC Name4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium
SMILES[CH2-]c1ccnc(C)c1-c1cc(C(C)(C)C)ncn1.[Ir]
InChIInChI=1S/C15H18N3.Ir/c1-10-6-7-16-11(2)14(10)12-8-13(15(3,4)5)18-9-17-12;/h6-9H,1H2,2-5H3;/q-1;
InChIKeyZGFVSUWKSFYSNC-UHFFFAOYSA-N
XLogP3.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-6-pyrimidin-2-ylpyrimidine
CID 162488354
4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 118230557
CID 161497467
CID 161497467
2-(6-pyridin-2-ylpyrimidin-4-yl)propan-2-amine
CID 83849094
4,6-ditert-butyl-3-methylpyridazine;bis(3,5-ditert-butylpyridazine);2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine
CID 164990705
4-tert-butyl-6-(2-methyl-4H-pyridin-4-id-3-yl)pyrimidine;4,7-diphenyl-1,10-phenanthroline;bis(iridium);2-phenylpyridine
CID 158052506
1,10-dimethyl-2,9-phenanthroline
CID 118895257
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 153396888
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
2-tert-butyl-4-(3-methylpentan-3-yl)pyridine
CID 71154792
tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine
CID 159940932
4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-(4-methylphenyl)pyrimidin-2-amine;platinum(2+)
CID 140723083

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium?
The IUPAC name of 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium (CID 158933592) is 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium.
What is the SMILES notation for 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium?
The canonical SMILES for 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium is [CH2-]c1ccnc(C)c1-c1cc(C(C)(C)C)ncn1.[Ir].
What is the InChIKey of 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium?
The InChIKey is ZGFVSUWKSFYSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3.Ir/c1-10-6-7-16-11(2)14(10)12-8-13(15(3,4)5)18-9-17-12;/h6-9H,1H2,2-5H3;/q-1;.
What are the key properties of 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium?
4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium has a molecular weight of 432.55 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium is sourced from PubChem (CID 158933592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).