4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine

C19H18N2O3 — CID 629427

IUPAC4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
SMILESCOc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H18N2O3/c1-22-17-10-9-14(11-18(17)23-2)16-12-15(20-19(21-16)24-3)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyYMJKWKQWOMYDND-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.84
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine

4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine (PubChem CID 629427) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
PubChem CID629427
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
SMILESCOc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H18N2O3/c1-22-17-10-9-14(11-18(17)23-2)16-12-15(20-19(21-16)24-3)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyYMJKWKQWOMYDND-UHFFFAOYSA-N
XLogP3.84
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine (CID 629427) is 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine is COc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine?
The InChIKey is YMJKWKQWOMYDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-22-17-10-9-14(11-18(17)23-2)16-12-15(20-19(21-16)24-3)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine?
4-(3,4-dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine has a molecular weight of 322.36 g/mol, XLogP of 3.84, 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-phenylpyrimidine is sourced from PubChem (CID 629427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).