4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine

C14H15ClN2O3 — CID 62320318

IUPAC4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C14H15ClN2O3/c1-18-8-9-7-12(15)17-14(16-9)10-5-4-6-11(19-2)13(10)20-3/h4-7H,8H2,1-3H3
InChIKeyMBCRCZOFPJYWRC-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.96
Rot. Bonds5

About 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine

4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 62320318) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
PubChem CID62320318
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C14H15ClN2O3/c1-18-8-9-7-12(15)17-14(16-9)10-5-4-6-11(19-2)13(10)20-3/h4-7H,8H2,1-3H3
InChIKeyMBCRCZOFPJYWRC-UHFFFAOYSA-N
XLogP2.96
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 62944668
4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942
2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
CID 114754588
5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66295840
1-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]isoquinoline
CID 63948424
4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62319606
[2-(2,3-dimethoxyphenyl)-6-propylpyrimidin-4-yl]hydrazine
CID 62252600
N-ethyl-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 62320794
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine (CID 62320318) is 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is MBCRCZOFPJYWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-18-8-9-7-12(15)17-14(16-9)10-5-4-6-11(19-2)13(10)20-3/h4-7H,8H2,1-3H3.
What are the key properties of 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 294.74 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 62320318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).