2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline

C15H15ClN6O2 — CID 130321075

IUPAC2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline
SMILESCNc1cc(-n2cc(COc3ncc(OC)cn3)nn2)ccc1Cl
InChIInChI=1S/C15H15ClN6O2/c1-17-14-5-11(3-4-13(14)16)22-8-10(20-21-22)9-24-15-18-6-12(23-2)7-19-15/h3-8,17H,9H2,1-2H3
InChIKeyBVHXJYCDAOGBIX-UHFFFAOYSA-N
MW346.78 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline

2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline (PubChem CID 130321075) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline.

Molecular Properties

Compound Name2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline
PubChem CID130321075
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline
SMILESCNc1cc(-n2cc(COc3ncc(OC)cn3)nn2)ccc1Cl
InChIInChI=1S/C15H15ClN6O2/c1-17-14-5-11(3-4-13(14)16)22-8-10(20-21-22)9-24-15-18-6-12(23-2)7-19-15/h3-8,17H,9H2,1-2H3
InChIKeyBVHXJYCDAOGBIX-UHFFFAOYSA-N
XLogP2.34
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-(4-chloro-3-methoxyphenyl)triazol-4-yl]methoxy]pyrimidine
CID 130311673
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-(difluoromethoxy)pyrimidine
CID 130309396
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309886
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309889
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-5-ol
CID 130320947
2-chloro-N-(fluoromethyl)-5-[4-[(1R)-1-(5-methoxypyrimidin-2-yl)oxyethyl]triazol-1-yl]aniline
CID 130321522
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319
2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine
CID 130309822
2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309441
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302350
(1S)-1-[2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidin-5-yl]ethanol
CID 175152325
2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline?
The IUPAC name of 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline (CID 130321075) is 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline.
What is the SMILES notation for 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline?
The canonical SMILES for 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline is CNc1cc(-n2cc(COc3ncc(OC)cn3)nn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline?
The InChIKey is BVHXJYCDAOGBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-17-14-5-11(3-4-13(14)16)22-8-10(20-21-22)9-24-15-18-6-12(23-2)7-19-15/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline?
2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline has a molecular weight of 346.78 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline is sourced from PubChem (CID 130321075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).