2,4-diphenyl-N-propylpyrimidine-5-carboxamide

C20H19N3O — CID 3583595

IUPAC2,4-diphenyl-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H19N3O/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/h3-12,14H,2,13H2,1H3,(H,21,24)
InChIKeyTVLUJNMOJVREQD-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.95
Rot. Bonds5

About 2,4-diphenyl-N-propylpyrimidine-5-carboxamide

2,4-diphenyl-N-propylpyrimidine-5-carboxamide (PubChem CID 3583595) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,4-diphenyl-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-diphenyl-N-propylpyrimidine-5-carboxamide
PubChem CID3583595
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2,4-diphenyl-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H19N3O/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/h3-12,14H,2,13H2,1H3,(H,21,24)
InChIKeyTVLUJNMOJVREQD-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2,4-diphenyl-N-propylpyrimidine-5-carboxamide (CID 3583595) is 2,4-diphenyl-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-diphenyl-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2,4-diphenyl-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-N-propylpyrimidine-5-carboxamide?
The InChIKey is TVLUJNMOJVREQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/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/h3-12,14H,2,13H2,1H3,(H,21,24).
What are the key properties of 2,4-diphenyl-N-propylpyrimidine-5-carboxamide?
2,4-diphenyl-N-propylpyrimidine-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.95, 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-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 3583595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).