6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione

C14H21N3O3S — CID 9341884

IUPAC6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H21N3O3S/c1-2-7-17-12(15)11(13(19)16-14(17)20)10(18)8-21-9-5-3-4-6-9/h9H,2-8,15H2,1H3,(H,16,19,20)
InChIKeyOQXWVBPXWLZKTH-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.39
Rot. Bonds6

About 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione

6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione (PubChem CID 9341884) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione
PubChem CID9341884
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H21N3O3S/c1-2-7-17-12(15)11(13(19)16-14(17)20)10(18)8-21-9-5-3-4-6-9/h9H,2-8,15H2,1H3,(H,16,19,20)
InChIKeyOQXWVBPXWLZKTH-UHFFFAOYSA-N
XLogP1.39
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione (CID 9341884) is 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSC2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is OQXWVBPXWLZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-7-17-12(15)11(13(19)16-14(17)20)10(18)8-21-9-5-3-4-6-9/h9H,2-8,15H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 311.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-cyclopentylsulfanylacetyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9341884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).