6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile

C18H14N4S — CID 5018617

IUPAC6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile
SMILES[H]/N=c1\c(C#N)c(-c2ccccc2)nc(SC)n1-c1ccccc1
InChIInChI=1S/C18H14N4S/c1-23-18-21-16(13-8-4-2-5-9-13)15(12-19)17(20)22(18)14-10-6-3-7-11-14/h2-11,20H,1H3/b20-17+
InChIKeyWTXUWRZHJCLILT-LVZFUZTISA-N
MW318.41 g/mol
LogP3.61
Rot. Bonds3

About 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile

6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile (PubChem CID 5018617) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile
PubChem CID5018617
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile
SMILES[H]/N=c1\c(C#N)c(-c2ccccc2)nc(SC)n1-c1ccccc1
InChIInChI=1S/C18H14N4S/c1-23-18-21-16(13-8-4-2-5-9-13)15(12-19)17(20)22(18)14-10-6-3-7-11-14/h2-11,20H,1H3/b20-17+
InChIKeyWTXUWRZHJCLILT-LVZFUZTISA-N
XLogP3.61
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
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2-methylsulfanyl-4,6-diphenylpyrimidine-5-carbonitrile;2-methylsulfonyl-4,6-diphenylpyrimidine-5-carbonitrile
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6-methyl-4,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
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2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)disulfanyl]-4,5-dimethyl-1-phenylpyrrole-3-carbonitrile
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6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 73292300
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163668762

Frequently Asked Questions

What is the IUPAC name of 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile (CID 5018617) is 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile is [H]/N=c1\c(C#N)c(-c2ccccc2)nc(SC)n1-c1ccccc1.
What is the InChIKey of 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile?
The InChIKey is WTXUWRZHJCLILT-LVZFUZTISA-N. The full InChI is InChI=1S/C18H14N4S/c1-23-18-21-16(13-8-4-2-5-9-13)15(12-19)17(20)22(18)14-10-6-3-7-11-14/h2-11,20H,1H3/b20-17+.
What are the key properties of 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile?
6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile has a molecular weight of 318.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 5018617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).