2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile

C15H14N4O — CID 698584

IUPAC2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H14N4O/c16-11-13-10-14(12-4-2-1-3-5-12)18-15(17-13)19-6-8-20-9-7-19/h1-5,10H,6-9H2
InChIKeyDHTSRTRUAIERDH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.85
Rot. Bonds2

About 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile

2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile (PubChem CID 698584) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
PubChem CID698584
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H14N4O/c16-11-13-10-14(12-4-2-1-3-5-12)18-15(17-13)19-6-8-20-9-7-19/h1-5,10H,6-9H2
InChIKeyDHTSRTRUAIERDH-UHFFFAOYSA-N
XLogP1.85
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile?
The IUPAC name of 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile (CID 698584) is 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile?
The InChIKey is DHTSRTRUAIERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-11-13-10-14(12-4-2-1-3-5-12)18-15(17-13)19-6-8-20-9-7-19/h1-5,10H,6-9H2.
What are the key properties of 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile?
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile is sourced from PubChem (CID 698584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).