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

C24H28N2O5 — CID 110842851

IUPACpropan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCOc1ccccc1C1NC(=O)NC(c2ccc(OC)cc2)=C1C(=O)OC(C)C
InChIInChI=1S/C24H28N2O5/c1-5-14-30-19-9-7-6-8-18(19)22-20(23(27)31-15(2)3)21(25-24(28)26-22)16-10-12-17(29-4)13-11-16/h6-13,15,22H,5,14H2,1-4H3,(H2,25,26,28)
InChIKeyOIEOJAMFNOGKOQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.20
Rot. Bonds8

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

propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110842851) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110842851
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namepropan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCOc1ccccc1C1NC(=O)NC(c2ccc(OC)cc2)=C1C(=O)OC(C)C
InChIInChI=1S/C24H28N2O5/c1-5-14-30-19-9-7-6-8-18(19)22-20(23(27)31-15(2)3)21(25-24(28)26-22)16-10-12-17(29-4)13-11-16/h6-13,15,22H,5,14H2,1-4H3,(H2,25,26,28)
InChIKeyOIEOJAMFNOGKOQ-UHFFFAOYSA-N
XLogP4.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110842851) is propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCOc1ccccc1C1NC(=O)NC(c2ccc(OC)cc2)=C1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is OIEOJAMFNOGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-5-14-30-19-9-7-6-8-18(19)22-20(23(27)31-15(2)3)21(25-24(28)26-22)16-10-12-17(29-4)13-11-16/h6-13,15,22H,5,14H2,1-4H3,(H2,25,26,28).
What are the key properties of propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110842851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).