1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine

C12H12ClN3O — CID 106485504

IUPAC1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncncc1Cl
InChIInChI=1S/C12H12ClN3O/c1-14-6-9-4-2-3-5-11(9)17-12-10(13)7-15-8-16-12/h2-5,7-8,14H,6H2,1H3
InChIKeyFSIVCEFGVIIJEU-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine

1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 106485504) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
PubChem CID106485504
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncncc1Cl
InChIInChI=1S/C12H12ClN3O/c1-14-6-9-4-2-3-5-11(9)17-12-10(13)7-15-8-16-12/h2-5,7-8,14H,6H2,1H3
InChIKeyFSIVCEFGVIIJEU-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485445
N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine
CID 114217154
1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 114045767
1-[2-(2,3-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282384
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol
CID 105370168
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
1-[2-[(2-chloro-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484619
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine (CID 106485504) is 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ncncc1Cl.
What is the InChIKey of 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is FSIVCEFGVIIJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-14-6-9-4-2-3-5-11(9)17-12-10(13)7-15-8-16-12/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 249.70 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 106485504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).