2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine

C17H23N3O — CID 80989402

IUPAC2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OC(C)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-11-14(18)19-16(17(3,4)5)20-15(11)21-12(2)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H2,18,19,20)
InChIKeyOXTIVBWEJCTFEN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds3

About 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine

2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine (PubChem CID 80989402) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
PubChem CID80989402
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OC(C)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-11-14(18)19-16(17(3,4)5)20-15(11)21-12(2)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H2,18,19,20)
InChIKeyOXTIVBWEJCTFEN-UHFFFAOYSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-6-phenylpyrimidin-4-amine
CID 80975412
2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
CID 80988672
2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80989840
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
CID 80988187
3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80989324
5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine
CID 114073020
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80991048
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine
CID 63022237
2-methoxy-6-(1-phenylethoxy)pyridin-3-amine
CID 43262353

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine (CID 80989402) is 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1OC(C)c1ccccc1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine?
The InChIKey is OXTIVBWEJCTFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-14(18)19-16(17(3,4)5)20-15(11)21-12(2)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).