6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C15H18IN3 — CID 66295603

IUPAC6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2c(C)cc(C)cc2C)nc(N)c1I
InChIInChI=1S/C15H18IN3/c1-5-11-13(16)14(17)19-15(18-11)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H2,17,18,19)
InChIKeyMBMVFGVTQCIXBD-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.82
Rot. Bonds2

About 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 66295603) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID66295603
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC Name6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2c(C)cc(C)cc2C)nc(N)c1I
InChIInChI=1S/C15H18IN3/c1-5-11-13(16)14(17)19-15(18-11)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H2,17,18,19)
InChIKeyMBMVFGVTQCIXBD-UHFFFAOYSA-N
XLogP3.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 66295603) is 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CCc1nc(-c2c(C)cc(C)cc2C)nc(N)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is MBMVFGVTQCIXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-5-11-13(16)14(17)19-15(18-11)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 367.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66295603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).