2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine

C16H20ClN3O — CID 80965836

IUPAC2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C16H20ClN3O/c1-5-18-13-10-14(20-15(19-13)16(2,3)4)21-12-9-7-6-8-11(12)17/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyFMNJHJYVPUUJKU-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.65
Rot. Bonds4

About 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine

2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 80965836) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
PubChem CID80965836
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C16H20ClN3O/c1-5-18-13-10-14(20-15(19-13)16(2,3)4)21-12-9-7-6-8-11(12)17/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyFMNJHJYVPUUJKU-UHFFFAOYSA-N
XLogP4.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916
6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80882199
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine (CID 80965836) is 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2ccccc2Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is FMNJHJYVPUUJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-5-18-13-10-14(20-15(19-13)16(2,3)4)21-12-9-7-6-8-11(12)17/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine?
2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.65, 4 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-chlorophenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80965836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).