4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile

C9H11N5O2S — CID 141278946

IUPAC4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile
SMILESCS(=O)(=O)c1nc(NC2CC2)nc(N)c1C#N
InChIInChI=1S/C9H11N5O2S/c1-17(15,16)8-6(4-10)7(11)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyDBDQDMIBHQMQCN-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.09
Rot. Bonds3

About 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile

4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile (PubChem CID 141278946) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile
PubChem CID141278946
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile
SMILESCS(=O)(=O)c1nc(NC2CC2)nc(N)c1C#N
InChIInChI=1S/C9H11N5O2S/c1-17(15,16)8-6(4-10)7(11)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyDBDQDMIBHQMQCN-UHFFFAOYSA-N
XLogP-0.09
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile (CID 141278946) is 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile is CS(=O)(=O)c1nc(NC2CC2)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile?
The InChIKey is DBDQDMIBHQMQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-17(15,16)8-6(4-10)7(11)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile?
4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile has a molecular weight of 253.29 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile is sourced from PubChem (CID 141278946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).