6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one

C13H21N5O4S — CID 137498305

IUPAC6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one
SMILESCC1COCCN1c1cc(N2CCCN(C)S2(=O)=O)[nH]c(=O)n1
InChIInChI=1S/C13H21N5O4S/c1-10-9-22-7-6-17(10)11-8-12(15-13(19)14-11)18-5-3-4-16(2)23(18,20)21/h8,10H,3-7,9H2,1-2H3,(H,14,15,19)
InChIKeyUTWTZNZZGBIMON-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.62
Rot. Bonds2

About 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one

6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one (PubChem CID 137498305) has the molecular formula C13H21N5O4S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one
PubChem CID137498305
Molecular FormulaC13H21N5O4S
Molecular Weight343.41 g/mol
Exact Mass343.13
IUPAC Name6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one
SMILESCC1COCCN1c1cc(N2CCCN(C)S2(=O)=O)[nH]c(=O)n1
InChIInChI=1S/C13H21N5O4S/c1-10-9-22-7-6-17(10)11-8-12(15-13(19)14-11)18-5-3-4-16(2)23(18,20)21/h8,10H,3-7,9H2,1-2H3,(H,14,15,19)
InChIKeyUTWTZNZZGBIMON-UHFFFAOYSA-N
XLogP-0.62
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
CID 137498389
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007
4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
CID 121448447
6-(3-methylmorpholin-4-yl)pyridine-2-sulfonamide
CID 154940920
6-(2,2-dimethylpyrrolidin-1-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 175079373
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one (CID 137498305) is 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one is CC1COCCN1c1cc(N2CCCN(C)S2(=O)=O)[nH]c(=O)n1.
What is the InChIKey of 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one?
The InChIKey is UTWTZNZZGBIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4S/c1-10-9-22-7-6-17(10)11-8-12(15-13(19)14-11)18-5-3-4-16(2)23(18,20)21/h8,10H,3-7,9H2,1-2H3,(H,14,15,19).
What are the key properties of 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one?
6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one has a molecular weight of 343.41 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 137498305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).