1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine

C13H14ClN3O2 — CID 106486506

IUPAC1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2nc(OC)ncc2Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-15-7-9-4-3-5-10(6-9)19-12-11(14)8-16-13(17-12)18-2/h3-6,8,15H,7H2,1-2H3
InChIKeyOSKQZZQFHXNBCA-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.65
Rot. Bonds5

About 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine

1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 106486506) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
PubChem CID106486506
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2nc(OC)ncc2Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-15-7-9-4-3-5-10(6-9)19-12-11(14)8-16-13(17-12)18-2/h3-6,8,15H,7H2,1-2H3
InChIKeyOSKQZZQFHXNBCA-UHFFFAOYSA-N
XLogP2.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 114928698
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107709676
5-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylaniline
CID 114252547
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106486635
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine (CID 106486506) is 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine is CNCc1cccc(Oc2nc(OC)ncc2Cl)c1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is OSKQZZQFHXNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-15-7-9-4-3-5-10(6-9)19-12-11(14)8-16-13(17-12)18-2/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 279.73 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 106486506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).