N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine

C17H22IN3 — CID 10786842

IUPACN-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1I
InChIInChI=1S/C17H22IN3/c1-6-21(17-19-12(4)9-13(5)20-17)16-8-7-14(11(2)3)10-15(16)18/h7-11H,6H2,1-5H3
InChIKeyXQPGFRBWNCMCSY-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.98
Rot. Bonds4

About N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine

N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 10786842) has the molecular formula C17H22IN3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID10786842
Molecular FormulaC17H22IN3
Molecular Weight395.29 g/mol
Exact Mass395.09
IUPAC NameN-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1I
InChIInChI=1S/C17H22IN3/c1-6-21(17-19-12(4)9-13(5)20-17)16-8-7-14(11(2)3)10-15(16)18/h7-11H,6H2,1-5H3
InChIKeyXQPGFRBWNCMCSY-UHFFFAOYSA-N
XLogP4.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
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 N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine (CID 10786842) is N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine is CCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1I.
What is the InChIKey of N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is XQPGFRBWNCMCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22IN3/c1-6-21(17-19-12(4)9-13(5)20-17)16-8-7-14(11(2)3)10-15(16)18/h7-11H,6H2,1-5H3.
What are the key properties of N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine?
N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 395.29 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-iodo-4-propan-2-ylphenyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 10786842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).