4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine

C13H13ClN2O — CID 87167555

IUPAC4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine
SMILESCOc1cccc(Cc2c(C)ncnc2Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9-12(13(14)16-8-15-9)7-10-4-3-5-11(6-10)17-2/h3-6,8H,7H2,1-2H3
InChIKeyLEXCILCSQJJODX-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.04
Rot. Bonds3

About 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine

4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine (PubChem CID 87167555) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine
PubChem CID87167555
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine
SMILESCOc1cccc(Cc2c(C)ncnc2Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9-12(13(14)16-8-15-9)7-10-4-3-5-11(6-10)17-2/h3-6,8H,7H2,1-2H3
InChIKeyLEXCILCSQJJODX-UHFFFAOYSA-N
XLogP3.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine
CID 132590511
6-[(3-methoxyphenyl)methyl]pyrimidine-4-carbonitrile
CID 121206299
6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 67492155
4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
CID 18938913
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
6-[(3-methoxyphenyl)methoxy]-N,5-dimethylpyrimidin-4-amine
CID 80867778
[2-[(3-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204972
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine (CID 87167555) is 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine is COc1cccc(Cc2c(C)ncnc2Cl)c1.
What is the InChIKey of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine?
The InChIKey is LEXCILCSQJJODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-12(13(14)16-8-15-9)7-10-4-3-5-11(6-10)17-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine?
4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 87167555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).