4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile

C15H12Cl2N4O — CID 86610312

IUPAC4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N4O/c16-11-3-1-2-10(8-11)13-12(9-18)14(17)20-15(19-13)21-4-6-22-7-5-21/h1-3,8H,4-7H2
InChIKeyCDWPKVNULQPSQA-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.16
Rot. Bonds2

About 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile

4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile (PubChem CID 86610312) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile
PubChem CID86610312
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N4O/c16-11-3-1-2-10(8-11)13-12(9-18)14(17)20-15(19-13)21-4-6-22-7-5-21/h1-3,8H,4-7H2
InChIKeyCDWPKVNULQPSQA-UHFFFAOYSA-N
XLogP3.16
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile (CID 86610312) is 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(N2CCOCC2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is CDWPKVNULQPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c16-11-3-1-2-10(8-11)13-12(9-18)14(17)20-15(19-13)21-4-6-22-7-5-21/h1-3,8H,4-7H2.
What are the key properties of 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile?
4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 335.19 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 86610312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).