4-amino-2-propylsulfanylpyrimidine-5-carbonitrile

C8H10N4S — CID 42583165

IUPAC4-amino-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1ncc(C#N)c(N)n1
InChIInChI=1S/C8H10N4S/c1-2-3-13-8-11-5-6(4-9)7(10)12-8/h5H,2-3H2,1H3,(H2,10,11,12)
InChIKeyHFLJYGINPNACNV-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.43
Rot. Bonds3

About 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile

4-amino-2-propylsulfanylpyrimidine-5-carbonitrile (PubChem CID 42583165) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-propylsulfanylpyrimidine-5-carbonitrile
PubChem CID42583165
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name4-amino-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1ncc(C#N)c(N)n1
InChIInChI=1S/C8H10N4S/c1-2-3-13-8-11-5-6(4-9)7(10)12-8/h5H,2-3H2,1H3,(H2,10,11,12)
InChIKeyHFLJYGINPNACNV-UHFFFAOYSA-N
XLogP1.43
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile (CID 42583165) is 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile is CCCSc1ncc(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is HFLJYGINPNACNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-2-3-13-8-11-5-6(4-9)7(10)12-8/h5H,2-3H2,1H3,(H2,10,11,12).
What are the key properties of 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-propylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-propylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 42583165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).