4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile

C10H13N5S — CID 11746608

IUPAC4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N2CCCC2)nc(N)c1C#N
InChIInChI=1S/C10H13N5S/c1-16-9-7(6-11)8(12)13-10(14-9)15-4-2-3-5-15/h2-5H2,1H3,(H2,12,13,14)
InChIKeyRPWJSSMQQUKXRP-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.25
Rot. Bonds2

About 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile

4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile (PubChem CID 11746608) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile
PubChem CID11746608
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(N2CCCC2)nc(N)c1C#N
InChIInChI=1S/C10H13N5S/c1-16-9-7(6-11)8(12)13-10(14-9)15-4-2-3-5-15/h2-5H2,1H3,(H2,12,13,14)
InChIKeyRPWJSSMQQUKXRP-UHFFFAOYSA-N
XLogP1.25
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile (CID 11746608) is 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile is CSc1nc(N2CCCC2)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile?
The InChIKey is RPWJSSMQQUKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-16-9-7(6-11)8(12)13-10(14-9)15-4-2-3-5-15/h2-5H2,1H3,(H2,12,13,14).
What are the key properties of 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile?
4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile has a molecular weight of 235.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 11746608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).