6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one

C15H28N4OS — CID 53392625

IUPAC6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one
SMILESCCCSc1nc(N)c(N(CCC)CCC)c(=O)n1CC
InChIInChI=1S/C15H28N4OS/c1-5-9-18(10-6-2)12-13(16)17-15(21-11-7-3)19(8-4)14(12)20/h5-11,16H2,1-4H3
InChIKeyFGUYLZRSRFSFIW-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.97
Rot. Bonds9

About 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one

6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one (PubChem CID 53392625) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one
PubChem CID53392625
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one
SMILESCCCSc1nc(N)c(N(CCC)CCC)c(=O)n1CC
InChIInChI=1S/C15H28N4OS/c1-5-9-18(10-6-2)12-13(16)17-15(21-11-7-3)19(8-4)14(12)20/h5-11,16H2,1-4H3
InChIKeyFGUYLZRSRFSFIW-UHFFFAOYSA-N
XLogP2.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one?
The IUPAC name of 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one (CID 53392625) is 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one is CCCSc1nc(N)c(N(CCC)CCC)c(=O)n1CC.
What is the InChIKey of 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one?
The InChIKey is FGUYLZRSRFSFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-5-9-18(10-6-2)12-13(16)17-15(21-11-7-3)19(8-4)14(12)20/h5-11,16H2,1-4H3.
What are the key properties of 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one?
6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one has a molecular weight of 312.48 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(dipropylamino)-3-ethyl-2-propylsulfanylpyrimidin-4-one is sourced from PubChem (CID 53392625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).