4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile

C16H16N4OS — CID 2819249

IUPAC4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile
SMILESCSc1nc(N2CCOCC2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C16H16N4OS/c1-22-15-13(11-17)14(12-5-3-2-4-6-12)18-16(19-15)20-7-9-21-10-8-20/h2-6H,7-10H2,1H3
InChIKeyPQARGBXKWSCLOH-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.57
Rot. Bonds3

About 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile

4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile (PubChem CID 2819249) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile
PubChem CID2819249
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile
SMILESCSc1nc(N2CCOCC2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C16H16N4OS/c1-22-15-13(11-17)14(12-5-3-2-4-6-12)18-16(19-15)20-7-9-21-10-8-20/h2-6H,7-10H2,1H3
InChIKeyPQARGBXKWSCLOH-UHFFFAOYSA-N
XLogP2.57
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[(4-Amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thio}-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CID 1045636
4-(4-Morpholinyl)-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 1480495
4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile
CID 45029198
4-(6-((Methylsulfanyl)methyl)-2-phenyl-4-pyrimidinyl)morpholine
CID 1471380
6,6,7-Trimethyl-1-(4-morpholinyl)-3-(phenylmethylthio)-5,8-dihydro-2,7-naphthyridine-4-carbonitrile
CID 658010
Ethyl 6-(4-morpholinyl)-2-phenyl-4-pyrimidinyl sulfide
CID 4461938
Isopropyl 6-(4-morpholinyl)-2-phenyl-4-pyrimidinyl sulfide
CID 852313
4-(6-Methyl-4-methylsulfanylquinazolin-2-yl)morpholine
CID 3849273
2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile
CID 45028927
2-Benzylsulfanyl-4-(4-chlorophenyl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 71524881
2-Benzylsulfanyl-4-(3-chlorophenyl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 71525017
5-Cyano-2-methyl-4-methylthio-6-phenylpyrimidine
CID 617854

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile (CID 2819249) is 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile is CSc1nc(N2CCOCC2)nc(-c2ccccc2)c1C#N.
What is the InChIKey of 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is PQARGBXKWSCLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-22-15-13(11-17)14(12-5-3-2-4-6-12)18-16(19-15)20-7-9-21-10-8-20/h2-6H,7-10H2,1H3.
What are the key properties of 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile?
4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 312.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2819249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).