[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

C14H15ClFN3O — CID 62295801

IUPAC[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(Oc2ccc(F)cc2Cl)c(CN)n1
InChIInChI=1S/C14H15ClFN3O/c1-8(2)14-18-7-13(11(6-17)19-14)20-12-4-3-9(16)5-10(12)15/h3-5,7-8H,6,17H2,1-2H3
InChIKeyKFRCNJIIVOHWFN-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.64
Rot. Bonds4

About [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62295801) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62295801
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(Oc2ccc(F)cc2Cl)c(CN)n1
InChIInChI=1S/C14H15ClFN3O/c1-8(2)14-18-7-13(11(6-17)19-14)20-12-4-3-9(16)5-10(12)15/h3-5,7-8H,6,17H2,1-2H3
InChIKeyKFRCNJIIVOHWFN-UHFFFAOYSA-N
XLogP3.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62672573
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784
1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 63272979
[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 63648235
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
[1-(2-chloro-4-fluorophenoxy)isoquinolin-4-yl]methanamine
CID 106777368
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine
CID 62088524
(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
CID 114056675

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62295801) is [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(Oc2ccc(F)cc2Cl)c(CN)n1.
What is the InChIKey of [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is KFRCNJIIVOHWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8(2)14-18-7-13(11(6-17)19-14)20-12-4-3-9(16)5-10(12)15/h3-5,7-8H,6,17H2,1-2H3.
What are the key properties of [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 295.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62295801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).