6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine

C10H16N4O3S — CID 113401386

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-17-7-9-12-8(11)6-10(13-9)14-2-4-18(15,16)5-3-14/h6H,2-5,7H2,1H3,(H2,11,12,13)
InChIKeyUSVZVSQKAMJQDS-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.56
Rot. Bonds3

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113401386) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID113401386
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-17-7-9-12-8(11)6-10(13-9)14-2-4-18(15,16)5-3-14/h6H,2-5,7H2,1H3,(H2,11,12,13)
InChIKeyUSVZVSQKAMJQDS-UHFFFAOYSA-N
XLogP-0.56
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methoxymethyl)-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 113401412
2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 113401270
2-(methoxymethyl)-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 113401273
1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol
CID 113401369
2-(methoxymethyl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419522
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
CID 78928279
1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109427
4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
CID 103739613
6-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 116796465
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 13393629
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564180
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine (CID 113401386) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(N)cc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is USVZVSQKAMJQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-17-7-9-12-8(11)6-10(13-9)14-2-4-18(15,16)5-3-14/h6H,2-5,7H2,1H3,(H2,11,12,13).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 272.33 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113401386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).