1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine

C13H14ClN3O — CID 62699888

IUPAC1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ncccn1
InChIInChI=1S/C13H14ClN3O/c1-15-8-10-7-11(14)3-4-12(10)18-9-13-16-5-2-6-17-13/h2-7,15H,8-9H2,1H3
InChIKeyVFEYALATMKQBNY-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.43
Rot. Bonds5

About 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine

1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 62699888) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID62699888
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ncccn1
InChIInChI=1S/C13H14ClN3O/c1-15-8-10-7-11(14)3-4-12(10)18-9-13-16-5-2-6-17-13/h2-7,15H,8-9H2,1H3
InChIKeyVFEYALATMKQBNY-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056881
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60882194
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881259
1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60883695

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 62699888) is 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1ncccn1.
What is the InChIKey of 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is VFEYALATMKQBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-15-8-10-7-11(14)3-4-12(10)18-9-13-16-5-2-6-17-13/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 263.73 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62699888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).