3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline

C14H16ClN3O — CID 80664031

IUPAC3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
SMILESCc1cc(Cl)nc(COc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-10-7-13(15)17-14(16-10)9-19-12-6-4-5-11(8-12)18(2)3/h4-8H,9H2,1-3H3
InChIKeyIXKMYTMIGMMFKU-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.08
Rot. Bonds4

About 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline

3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline (PubChem CID 80664031) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
PubChem CID80664031
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
SMILESCc1cc(Cl)nc(COc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-10-7-13(15)17-14(16-10)9-19-12-6-4-5-11(8-12)18(2)3/h4-8H,9H2,1-3H3
InChIKeyIXKMYTMIGMMFKU-UHFFFAOYSA-N
XLogP3.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
CID 80664866
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566676
3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
CID 42692318
2-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]acetonitrile
CID 80663555
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
4-(chloromethyl)-6-methyl-2-(phenoxymethyl)pyrimidine
CID 62745019
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 83140307
1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one
CID 99976883

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline (CID 80664031) is 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline is Cc1cc(Cl)nc(COc2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline?
The InChIKey is IXKMYTMIGMMFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-7-13(15)17-14(16-10)9-19-12-6-4-5-11(8-12)18(2)3/h4-8H,9H2,1-3H3.
What are the key properties of 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline?
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline has a molecular weight of 277.76 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 80664031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).