(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

C23H26N2O5 — CID 2855027

IUPAC(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2OC(C)C)cc1
InChIInChI=1S/C23H26N2O5/c1-14(2)30-19-8-6-5-7-18(19)21-20(15(3)24-23(27)25-21)22(26)29-13-16-9-11-17(28-4)12-10-16/h5-12,14,21H,13H2,1-4H3,(H2,24,25,27)
InChIKeyRAYPJFXAUKAFNC-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.85
Rot. Bonds7

About (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2855027) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2855027
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2OC(C)C)cc1
InChIInChI=1S/C23H26N2O5/c1-14(2)30-19-8-6-5-7-18(19)21-20(15(3)24-23(27)25-21)22(26)29-13-16-9-11-17(28-4)12-10-16/h5-12,14,21H,13H2,1-4H3,(H2,24,25,27)
InChIKeyRAYPJFXAUKAFNC-UHFFFAOYSA-N
XLogP3.85
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2855027) is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccccc2OC(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is RAYPJFXAUKAFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14(2)30-19-8-6-5-7-18(19)21-20(15(3)24-23(27)25-21)22(26)29-13-16-9-11-17(28-4)12-10-16/h5-12,14,21H,13H2,1-4H3,(H2,24,25,27).
What are the key properties of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2855027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).