4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile

C21H18N4O — CID 1480495

IUPAC4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C21H18N4O/c22-15-18-19(16-7-3-1-4-8-16)23-20(17-9-5-2-6-10-17)24-21(18)25-11-13-26-14-12-25/h1-10H,11-14H2
InChIKeyZYGRWMPTDDLBCJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.52
Rot. Bonds3

About 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile

4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 1480495) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile
PubChem CID1480495
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1N1CCOCC1
InChIInChI=1S/C21H18N4O/c22-15-18-19(16-7-3-1-4-8-16)23-20(17-9-5-2-6-10-17)24-21(18)25-11-13-26-14-12-25/h1-10H,11-14H2
InChIKeyZYGRWMPTDDLBCJ-UHFFFAOYSA-N
XLogP3.52
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile (CID 1480495) is 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is ZYGRWMPTDDLBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-15-18-19(16-7-3-1-4-8-16)23-20(17-9-5-2-6-10-17)24-21(18)25-11-13-26-14-12-25/h1-10H,11-14H2.
What are the key properties of 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile?
4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 342.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1480495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).