5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one

C13H19N3O3S — CID 43572877

IUPAC5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N1CCCCC1CO
InChIInChI=1S/C13H19N3O3S/c1-8-10(11(20-2)15-13(19)14-8)12(18)16-6-4-3-5-9(16)7-17/h9,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyYPOFKEINCLBJAW-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.79
Rot. Bonds3

About 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one

5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one (PubChem CID 43572877) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
PubChem CID43572877
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N1CCCCC1CO
InChIInChI=1S/C13H19N3O3S/c1-8-10(11(20-2)15-13(19)14-8)12(18)16-6-4-3-5-9(16)7-17/h9,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyYPOFKEINCLBJAW-UHFFFAOYSA-N
XLogP0.79
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 43356082
N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500428
5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43501394
5-(4-hydroxypiperidine-1-carbonyl)-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43502638
5-(3-hydroxypiperidine-1-carbonyl)-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43502682
N-(4-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43508861
N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 43573583
N-cyclopropyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43577174
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43589556
N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 54878685
5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 60954892
5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 60958302

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one (CID 43572877) is 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one is CSc1nc(=O)[nH]c(C)c1C(=O)N1CCCCC1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
The InChIKey is YPOFKEINCLBJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-10(11(20-2)15-13(19)14-8)12(18)16-6-4-3-5-9(16)7-17/h9,17H,3-7H2,1-2H3,(H,14,15,19).
What are the key properties of 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one is sourced from PubChem (CID 43572877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).