4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine

C13H13ClN2O — CID 15561342

IUPAC4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
SMILESCc1cccc(OCc2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C13H13ClN2O/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13/h3-7H,8H2,1-2H3
InChIKeyUVUCIFYHELRHTN-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.33
Rot. Bonds3

About 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine

4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine (PubChem CID 15561342) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
PubChem CID15561342
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
SMILESCc1cccc(OCc2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C13H13ClN2O/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13/h3-7H,8H2,1-2H3
InChIKeyUVUCIFYHELRHTN-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031
6-chloro-2-[(3-methylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168817
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
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
1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one
CID 99976883
4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine
CID 82165679
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
2-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 80656918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine (CID 15561342) is 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine is Cc1cccc(OCc2nc(C)cc(Cl)n2)c1.
What is the InChIKey of 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine?
The InChIKey is UVUCIFYHELRHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine?
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine is sourced from PubChem (CID 15561342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).