2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine

C15H18FN3O — CID 80965315

IUPAC2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(F)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H18FN3O/c1-15(2,3)14-18-12(17-4)9-13(19-14)20-11-7-5-6-10(16)8-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeySKYRURLWIDIKFV-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.75
Rot. Bonds3

About 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine

2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine (PubChem CID 80965315) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
PubChem CID80965315
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(F)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H18FN3O/c1-15(2,3)14-18-12(17-4)9-13(19-14)20-11-7-5-6-10(16)8-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeySKYRURLWIDIKFV-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
2-tert-butyl-6-(3-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965877
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916
2-tert-butyl-6-(4-iodophenoxy)-N-methylpyrimidin-4-amine
CID 80966565
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955468
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382
[6-(3-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80916968
6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774691
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine (CID 80965315) is 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2cccc(F)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is SKYRURLWIDIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-15(2,3)14-18-12(17-4)9-13(19-14)20-11-7-5-6-10(16)8-11/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine?
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.75, 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-(3-fluorophenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80965315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).