1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide

C25H27N3O5 — CID 59343609

IUPAC1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1c(C)c(=O)n(Cc2ccc(OC)cc2)c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C25H27N3O5/c1-5-14-26-23(29)22-17(2)24(30)28(16-19-8-12-21(33-4)13-9-19)25(31)27(22)15-18-6-10-20(32-3)11-7-18/h5-13H,1,14-16H2,2-4H3,(H,26,29)
InChIKeyQCJCCNHROUEAFG-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.35
Rot. Bonds9

About 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide

1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 59343609) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID59343609
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1c(C)c(=O)n(Cc2ccc(OC)cc2)c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C25H27N3O5/c1-5-14-26-23(29)22-17(2)24(30)28(16-19-8-12-21(33-4)13-9-19)25(31)27(22)15-18-6-10-20(32-3)11-7-18/h5-13H,1,14-16H2,2-4H3,(H,26,29)
InChIKeyQCJCCNHROUEAFG-UHFFFAOYSA-N
XLogP2.35
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide (CID 59343609) is 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1c(C)c(=O)n(Cc2ccc(OC)cc2)c(=O)n1Cc1ccc(OC)cc1.
What is the InChIKey of 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is QCJCCNHROUEAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-5-14-26-23(29)22-17(2)24(30)28(16-19-8-12-21(33-4)13-9-19)25(31)27(22)15-18-6-10-20(32-3)11-7-18/h5-13H,1,14-16H2,2-4H3,(H,26,29).
What are the key properties of 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide?
1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyphenyl)methyl]-5-methyl-2,6-dioxo-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 59343609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).