2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine

C14H24IN3 — CID 66299999

IUPAC2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1I
InChIInChI=1S/C14H24IN3/c1-8-16-11-9(15)10(13(2,3)4)17-12(18-11)14(5,6)7/h8H2,1-7H3,(H,16,17,18)
InChIKeyCSMWVYBGSAWXRR-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.11
Rot. Bonds2

About 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine

2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66299999) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66299999
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1I
InChIInChI=1S/C14H24IN3/c1-8-16-11-9(15)10(13(2,3)4)17-12(18-11)14(5,6)7/h8H2,1-7H3,(H,16,17,18)
InChIKeyCSMWVYBGSAWXRR-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.11
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

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
5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 79411802
2-tert-butyl-6-cyclopropyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66304006
6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806799
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-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301181
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine (CID 66299999) is 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1I.
What is the InChIKey of 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is CSMWVYBGSAWXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3/c1-8-16-11-9(15)10(13(2,3)4)17-12(18-11)14(5,6)7/h8H2,1-7H3,(H,16,17,18).
What are the key properties of 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine?
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 361.27 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66299999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).