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

C11H18IN3 — CID 66299608

IUPAC6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(C(C)(C)C)c1I
InChIInChI=1S/C11H18IN3/c1-6-13-10-8(12)9(11(3,4)5)14-7(2)15-10/h6H2,1-5H3,(H,13,14,15)
InChIKeyYJXLMMKYCFYMJU-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.12
Rot. Bonds2

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

6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine (PubChem CID 66299608) has the molecular formula C11H18IN3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
PubChem CID66299608
Molecular FormulaC11H18IN3
Molecular Weight319.19 g/mol
Exact Mass319.05
IUPAC Name6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(C(C)(C)C)c1I
InChIInChI=1S/C11H18IN3/c1-6-13-10-8(12)9(11(3,4)5)14-7(2)15-10/h6H2,1-5H3,(H,13,14,15)
InChIKeyYJXLMMKYCFYMJU-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.12
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

2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625
6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
CID 66296552
2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 79411802
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
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-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301181
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
2-(2-bromophenyl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299806
6-tert-butyl-2-[cyclopropyl(methoxy)methyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 116729525
6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
CID 66300395
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine (CID 66299608) is 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine is CCNc1nc(C)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine?
The InChIKey is YJXLMMKYCFYMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3/c1-6-13-10-8(12)9(11(3,4)5)14-7(2)15-10/h6H2,1-5H3,(H,13,14,15).
What are the key properties of 6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine?
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine has a molecular weight of 319.19 g/mol, XLogP of 3.12, 2 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-methylpyrimidin-4-amine is sourced from PubChem (CID 66299608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).