6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine

C19H26IN7OSi — CID 86604693

IUPAC6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1nnnc1C(Cc1ccccc1)Nc1cc(I)ncn1
InChIInChI=1S/C19H26IN7OSi/c1-29(2,3)10-9-28-14-27-19(24-25-26-27)16(11-15-7-5-4-6-8-15)23-18-12-17(20)21-13-22-18/h4-8,12-13,16H,9-11,14H2,1-3H3,(H,21,22,23)
InChIKeyVVCRRRYJVLKZKM-UHFFFAOYSA-N
MW523.46 g/mol
LogP3.78
Rot. Bonds10

About 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine

6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine (PubChem CID 86604693) has the molecular formula C19H26IN7OSi and a molecular weight of 523.46 g/mol. Its IUPAC name is 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine
PubChem CID86604693
Molecular FormulaC19H26IN7OSi
Molecular Weight523.46 g/mol
Exact Mass523.10
IUPAC Name6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1nnnc1C(Cc1ccccc1)Nc1cc(I)ncn1
InChIInChI=1S/C19H26IN7OSi/c1-29(2,3)10-9-28-14-27-19(24-25-26-27)16(11-15-7-5-4-6-8-15)23-18-12-17(20)21-13-22-18/h4-8,12-13,16H,9-11,14H2,1-3H3,(H,21,22,23)
InChIKeyVVCRRRYJVLKZKM-UHFFFAOYSA-N
XLogP3.78
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine (CID 86604693) is 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine is C[Si](C)(C)CCOCn1nnnc1C(Cc1ccccc1)Nc1cc(I)ncn1.
What is the InChIKey of 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine?
The InChIKey is VVCRRRYJVLKZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26IN7OSi/c1-29(2,3)10-9-28-14-27-19(24-25-26-27)16(11-15-7-5-4-6-8-15)23-18-12-17(20)21-13-22-18/h4-8,12-13,16H,9-11,14H2,1-3H3,(H,21,22,23).
What are the key properties of 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine?
6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine has a molecular weight of 523.46 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-[2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 86604693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).