5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one

C9H14N4O3S — CID 136964634

IUPAC5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
SMILESCC1CS(=O)(=O)CCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H14N4O3S/c1-6-4-17(15,16)3-2-13(6)8-7(10)9(14)12-5-11-8/h5-6H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyZTMMCRAPCBHNKI-UHFFFAOYSA-N
MW258.30 g/mol
LogP-1.02
Rot. Bonds1

About 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one

5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one (PubChem CID 136964634) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
PubChem CID136964634
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
SMILESCC1CS(=O)(=O)CCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H14N4O3S/c1-6-4-17(15,16)3-2-13(6)8-7(10)9(14)12-5-11-8/h5-6H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyZTMMCRAPCBHNKI-UHFFFAOYSA-N
XLogP-1.02
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one (CID 136964634) is 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one is CC1CS(=O)(=O)CCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is ZTMMCRAPCBHNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-6-4-17(15,16)3-2-13(6)8-7(10)9(14)12-5-11-8/h5-6H,2-4,10H2,1H3,(H,11,12,14).
What are the key properties of 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 258.30 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136964634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).