2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one

C12H19N5O2S — CID 136663715

IUPAC2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCSCC(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C12H19N5O2S/c1-2-20-8-11(19)17-5-3-16(4-6-17)9-7-10(18)15-12(13)14-9/h7H,2-6,8H2,1H3,(H3,13,14,15,18)
InChIKeyUKCZZWSRJLSZCB-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.25
Rot. Bonds4

About 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136663715) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136663715
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCSCC(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C12H19N5O2S/c1-2-20-8-11(19)17-5-3-16(4-6-17)9-7-10(18)15-12(13)14-9/h7H,2-6,8H2,1H3,(H3,13,14,15,18)
InChIKeyUKCZZWSRJLSZCB-UHFFFAOYSA-N
XLogP-0.25
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136663715) is 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCSCC(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UKCZZWSRJLSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-2-20-8-11(19)17-5-3-16(4-6-17)9-7-10(18)15-12(13)14-9/h7H,2-6,8H2,1H3,(H3,13,14,15,18).
What are the key properties of 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 297.38 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-ethylsulfanylacetyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136663715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).