2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine

C19H20N2O3 — CID 173324180

IUPAC2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine
SMILESCOC1=NC(c2cc(OCc3ccccc3)ccc2OC)C=CN1
InChIInChI=1S/C19H20N2O3/c1-22-18-9-8-15(24-13-14-6-4-3-5-7-14)12-16(18)17-10-11-20-19(21-17)23-2/h3-12,17H,13H2,1-2H3,(H,20,21)
InChIKeyLQSIJKMYJJLLRS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.43
Rot. Bonds5

About 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine

2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine (PubChem CID 173324180) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine
PubChem CID173324180
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine
SMILESCOC1=NC(c2cc(OCc3ccccc3)ccc2OC)C=CN1
InChIInChI=1S/C19H20N2O3/c1-22-18-9-8-15(24-13-14-6-4-3-5-7-14)12-16(18)17-10-11-20-19(21-17)23-2/h3-12,17H,13H2,1-2H3,(H,20,21)
InChIKeyLQSIJKMYJJLLRS-UHFFFAOYSA-N
XLogP3.43
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine (CID 173324180) is 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine is COC1=NC(c2cc(OCc3ccccc3)ccc2OC)C=CN1.
What is the InChIKey of 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine?
The InChIKey is LQSIJKMYJJLLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-22-18-9-8-15(24-13-14-6-4-3-5-7-14)12-16(18)17-10-11-20-19(21-17)23-2/h3-12,17H,13H2,1-2H3,(H,20,21).
What are the key properties of 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine?
2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine has a molecular weight of 324.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methoxy-5-phenylmethoxyphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 173324180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).