6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine

C16H20IN3 — CID 66299219

IUPAC6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H20IN3/c1-5-18-15-12(17)13(16(2,3)4)19-14(20-15)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyWYDAOIAHEQAECF-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.48
Rot. Bonds3

About 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine

6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine (PubChem CID 66299219) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
PubChem CID66299219
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H20IN3/c1-5-18-15-12(17)13(16(2,3)4)19-14(20-15)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyWYDAOIAHEQAECF-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299806
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999
6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806799
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608
6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
CID 66296552
6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine
CID 66301189
2-(3-bromophenyl)-6-tert-butyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298821
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720
5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 66307616

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine (CID 66299219) is 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine is CCNc1nc(-c2ccccc2)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine?
The InChIKey is WYDAOIAHEQAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-5-18-15-12(17)13(16(2,3)4)19-14(20-15)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine?
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine has a molecular weight of 381.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 66299219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).