N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide

C20H19N3O — CID 839083

IUPACN-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide
SMILESCc1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3O/c1-15-12-13-21-20(22-15)23-19(24)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3,(H,21,22,23,24)
InChIKeySYBHAZFKYZPTNJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.95
Rot. Bonds5

About N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide

N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide (PubChem CID 839083) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide
PubChem CID839083
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide
SMILESCc1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3O/c1-15-12-13-21-20(22-15)23-19(24)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3,(H,21,22,23,24)
InChIKeySYBHAZFKYZPTNJ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide (CID 839083) is N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide is Cc1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide?
The InChIKey is SYBHAZFKYZPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-12-13-21-20(22-15)23-19(24)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3,(H,21,22,23,24).
What are the key properties of N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide?
N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide 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 N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide is sourced from PubChem (CID 839083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).