[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol

C10H15N3O3S — CID 114215021

IUPAC[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H15N3O3S/c1-8-11-6-9(7-14)10(12-8)13-2-4-17(15,16)5-3-13/h6,14H,2-5,7H2,1H3
InChIKeyCIMIMIKCACIRSA-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.49
Rot. Bonds2

About [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol

[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol (PubChem CID 114215021) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol
PubChem CID114215021
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H15N3O3S/c1-8-11-6-9(7-14)10(12-8)13-2-4-17(15,16)5-3-13/h6,14H,2-5,7H2,1H3
InChIKeyCIMIMIKCACIRSA-UHFFFAOYSA-N
XLogP-0.49
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanol
CID 61257905
[2-methyl-4-(4-methylsulfanylazepan-1-yl)pyrimidin-5-yl]methanol
CID 114237753
4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864292
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
CID 114083554
[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905055
[4-(azepan-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905065
[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol
CID 130484667
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 83889648
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 50977781
1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714652
N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol (CID 114215021) is [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol is Cc1ncc(CO)c(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol?
The InChIKey is CIMIMIKCACIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8-11-6-9(7-14)10(12-8)13-2-4-17(15,16)5-3-13/h6,14H,2-5,7H2,1H3.
What are the key properties of [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol?
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol has a molecular weight of 257.31 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114215021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).