3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol

C14H16IN3O — CID 66297895

IUPAC3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol
SMILESCC(C)(C)c1nc(-c2cccc(O)c2)nc(N)c1I
InChIInChI=1S/C14H16IN3O/c1-14(2,3)11-10(15)12(16)18-13(17-11)8-5-4-6-9(19)7-8/h4-7,19H,1-3H3,(H2,16,17,18)
InChIKeyDEFKDUYCJYXWPM-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.33
Rot. Bonds1

About 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol

3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol (PubChem CID 66297895) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol
PubChem CID66297895
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol
SMILESCC(C)(C)c1nc(-c2cccc(O)c2)nc(N)c1I
InChIInChI=1S/C14H16IN3O/c1-14(2,3)11-10(15)12(16)18-13(17-11)8-5-4-6-9(19)7-8/h4-7,19H,1-3H3,(H2,16,17,18)
InChIKeyDEFKDUYCJYXWPM-UHFFFAOYSA-N
XLogP3.33
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66298090
6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66296933
6-tert-butyl-5-iodo-2-thiophen-3-ylpyrimidin-4-amine
CID 66307423
6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine
CID 66307224
2-(3-bromo-4-methoxyphenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 66295776
6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295197
3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
CID 66296362
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol
CID 62250551
4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine
CID 66294824
5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66297312
5-bromo-6-tert-butyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66307405

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol (CID 66297895) is 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol is CC(C)(C)c1nc(-c2cccc(O)c2)nc(N)c1I.
What is the InChIKey of 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol?
The InChIKey is DEFKDUYCJYXWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-14(2,3)11-10(15)12(16)18-13(17-11)8-5-4-6-9(19)7-8/h4-7,19H,1-3H3,(H2,16,17,18).
What are the key properties of 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol?
3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol has a molecular weight of 369.21 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol is sourced from PubChem (CID 66297895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).