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

C15H23N3O3S — CID 9289915

IUPAC6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-2-8-18-13(16)12(14(20)17-15(18)21)11(19)9-22-10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,20,21)
InChIKeyYFKVHGYKVRJODV-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.78
Rot. Bonds6

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

6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione (PubChem CID 9289915) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione
PubChem CID9289915
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-2-8-18-13(16)12(14(20)17-15(18)21)11(19)9-22-10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,20,21)
InChIKeyYFKVHGYKVRJODV-UHFFFAOYSA-N
XLogP1.78
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.78
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-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione (CID 9289915) is 6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is YFKVHGYKVRJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-8-18-13(16)12(14(20)17-15(18)21)11(19)9-22-10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,20,21).
What are the key properties of 6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 325.43 g/mol, XLogP of 1.78, 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-cyclohexylsulfanylacetyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9289915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).