2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine

C15H17Cl2N3O — CID 80988187

IUPAC2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-8-12(18)19-14(15(2,3)4)20-13(8)21-10-7-5-6-9(16)11(10)17/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyMJXVNFNLCLHWCO-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.76
Rot. Bonds2

About 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine

2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80988187) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
PubChem CID80988187
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-8-12(18)19-14(15(2,3)4)20-13(8)21-10-7-5-6-9(16)11(10)17/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyMJXVNFNLCLHWCO-UHFFFAOYSA-N
XLogP4.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80988122
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
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
2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80972845
2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80989402
2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
CID 81341700
6-(2,3-dichlorophenoxy)pyridine-2,3-diamine
CID 79826072
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine
CID 81346629
2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794488
[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80973268

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine (CID 80988187) is 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is MJXVNFNLCLHWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-8-12(18)19-14(15(2,3)4)20-13(8)21-10-7-5-6-9(16)11(10)17/h5-7H,1-4H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 326.23 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).