4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine

C20H20N2O3 — CID 2854304

IUPAC4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
SMILESCOc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H20N2O3/c1-13-5-7-14(8-6-13)16-12-17(22-20(21-16)25-4)15-9-10-18(23-2)19(11-15)24-3/h5-12H,1-4H3
InChIKeyCCSUQPYCEAMTCO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.14
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine

4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine (PubChem CID 2854304) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
PubChem CID2854304
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
SMILESCOc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H20N2O3/c1-13-5-7-14(8-6-13)16-12-17(22-20(21-16)25-4)15-9-10-18(23-2)19(11-15)24-3/h5-12H,1-4H3
InChIKeyCCSUQPYCEAMTCO-UHFFFAOYSA-N
XLogP4.14
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
CID 116896805
2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
CID 1350419
2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 622689
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
2-chloro-6-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 39374773
2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 18874648
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine (CID 2854304) is 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine is COc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine?
The InChIKey is CCSUQPYCEAMTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-5-7-14(8-6-13)16-12-17(22-20(21-16)25-4)15-9-10-18(23-2)19(11-15)24-3/h5-12H,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine?
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine has a molecular weight of 336.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 2854304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).