6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H15ClFN3O — CID 116691214

IUPAC6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(Cl)c2F)nc(C2CC2)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-18-12-8-13(20-15(19-12)9-6-7-9)21-11-5-3-4-10(16)14(11)17/h3-5,8-9H,2,6-7H2,1H3,(H,18,19,20)
InChIKeyIWIOXRCSVFMHRI-UHFFFAOYSA-N
MW307.76 g/mol
LogP4.37
Rot. Bonds5

About 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 116691214) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID116691214
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(Cl)c2F)nc(C2CC2)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-18-12-8-13(20-15(19-12)9-6-7-9)21-11-5-3-4-10(16)14(11)17/h3-5,8-9H,2,6-7H2,1H3,(H,18,19,20)
InChIKeyIWIOXRCSVFMHRI-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 54.37
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-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 114488701
[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965836

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 116691214) is 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2cccc(Cl)c2F)nc(C2CC2)n1.
What is the InChIKey of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is IWIOXRCSVFMHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-18-12-8-13(20-15(19-12)9-6-7-9)21-11-5-3-4-10(16)14(11)17/h3-5,8-9H,2,6-7H2,1H3,(H,18,19,20).
What are the key properties of 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 307.76 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 116691214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).