2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide

C20H17N3O — CID 3583594

IUPAC2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H17N3O/c1-2-13-21-20(24)17-14-22-19(16-11-7-4-8-12-16)23-18(17)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,21,24)
InChIKeyLVSFISUFJVEXLD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.73
Rot. Bonds5

About 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide

2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 3583594) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID3583594
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H17N3O/c1-2-13-21-20(24)17-14-22-19(16-11-7-4-8-12-16)23-18(17)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,21,24)
InChIKeyLVSFISUFJVEXLD-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide (CID 3583594) is 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is LVSFISUFJVEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-13-21-20(24)17-14-22-19(16-11-7-4-8-12-16)23-18(17)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,21,24).
What are the key properties of 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide?
2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 3583594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).