2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine

C16H20FN3O — CID 80989840

IUPAC2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OCc1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-10-13(18)19-15(16(2,3)4)20-14(10)21-9-11-7-5-6-8-12(11)17/h5-8H,9H2,1-4H3,(H2,18,19,20)
InChIKeyARPJDQZYEWIKLC-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.38
Rot. Bonds3

About 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine

2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine (PubChem CID 80989840) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
PubChem CID80989840
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OCc1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-10-13(18)19-15(16(2,3)4)20-14(10)21-9-11-7-5-6-8-12(11)17/h5-8H,9H2,1-4H3,(H2,18,19,20)
InChIKeyARPJDQZYEWIKLC-UHFFFAOYSA-N
XLogP3.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80989324
6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80876952
2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80991048
2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80989402
2-[(2-fluorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66278256
2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
CID 80988672
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
CID 80876188
2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80977138
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 103176459

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine (CID 80989840) is 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1OCc1ccccc1F.
What is the InChIKey of 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine?
The InChIKey is ARPJDQZYEWIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-13(18)19-15(16(2,3)4)20-14(10)21-9-11-7-5-6-8-12(11)17/h5-8H,9H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine?
2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).