N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C23H21N3O3 — CID 31798248

IUPACN-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-15-18(19-21(28)25-14-26-22(19)29-15)20(27)24-13-23(2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyZLEILNFXHSNYME-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.56
Rot. Bonds5

About N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 31798248) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID31798248
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-15-18(19-21(28)25-14-26-22(19)29-15)20(27)24-13-23(2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyZLEILNFXHSNYME-UHFFFAOYSA-N
XLogP3.56
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 31798248) is N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZLEILNFXHSNYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-18(19-21(28)25-14-26-22(19)29-15)20(27)24-13-23(2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 31798248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).