[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine

C11H10ClN3O — CID 115041207

IUPAC[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
SMILESNCc1ncc(Oc2ccccc2Cl)cn1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-4-10(9)16-8-6-14-11(5-13)15-7-8/h1-4,6-7H,5,13H2
InChIKeyCWGUWTLHDGTMAJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.38
Rot. Bonds3

About [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine

[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine (PubChem CID 115041207) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
PubChem CID115041207
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
SMILESNCc1ncc(Oc2ccccc2Cl)cn1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-4-10(9)16-8-6-14-11(5-13)15-7-8/h1-4,6-7H,5,13H2
InChIKeyCWGUWTLHDGTMAJ-UHFFFAOYSA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
5-(2-chlorophenoxy)pyrimidine
CID 117231306
5-(2-chlorophenoxy)pyridine-2-carbothioamide
CID 113321027
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
azane;1-chloro-2-phenoxybenzene
CID 68980819
5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine
CID 117224579
2-(2-chlorophenoxy)-5-[(2-chlorophenyl)methoxy]pyridine
CID 141305144
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
[4-chloro-2-(2-chlorophenoxy)-1,3-thiazol-5-yl]methanamine
CID 117258710

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine?
The IUPAC name of [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine (CID 115041207) is [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine is NCc1ncc(Oc2ccccc2Cl)cn1.
What is the InChIKey of [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine?
The InChIKey is CWGUWTLHDGTMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-3-1-2-4-10(9)16-8-6-14-11(5-13)15-7-8/h1-4,6-7H,5,13H2.
What are the key properties of [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine?
[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine has a molecular weight of 235.67 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 115041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).