2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine

C13H14ClN3O — CID 102923378

IUPAC2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1cncnc1
InChIInChI=1S/C13H14ClN3O/c1-18-13-3-2-11(14)4-9(13)5-12(15)10-6-16-8-17-7-10/h2-4,6-8,12H,5,15H2,1H3
InChIKeyDZLHPMIWUARJPY-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.38
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine

2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923378) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
PubChem CID102923378
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1cncnc1
InChIInChI=1S/C13H14ClN3O/c1-18-13-3-2-11(14)4-9(13)5-12(15)10-6-16-8-17-7-10/h2-4,6-8,12H,5,15H2,1H3
InChIKeyDZLHPMIWUARJPY-UHFFFAOYSA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105137300
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine (CID 102923378) is 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine is COc1ccc(Cl)cc1CC(N)c1cncnc1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine?
The InChIKey is DZLHPMIWUARJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-13-3-2-11(14)4-9(13)5-12(15)10-6-16-8-17-7-10/h2-4,6-8,12H,5,15H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine?
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine has a molecular weight of 263.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).