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

C13H19N3O3S — CID 60958302

IUPAC5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H19N3O3S/c1-8-10(11(20-2)15-13(19)14-8)12(18)16-5-3-9(7-17)4-6-16/h9,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyZJQPOTOXUANMSJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.64
Rot. Bonds3

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

5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one (PubChem CID 60958302) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
PubChem CID60958302
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H19N3O3S/c1-8-10(11(20-2)15-13(19)14-8)12(18)16-5-3-9(7-17)4-6-16/h9,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyZJQPOTOXUANMSJ-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
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-4-carboxylic acid
CID 43354247
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
5-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43572877
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43589556
N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 55172941
5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 60954892
N-(1-hydroxy-4-methylpentan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 61246492
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 62356084
5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 62371850
6-methyl-4-methylsulfanyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 64590761
N-[(3-hydroxycyclobutyl)methyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 65971762

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one (CID 60958302) is 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one is CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC(CO)CC1.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
The InChIKey is ZJQPOTOXUANMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-10(11(20-2)15-13(19)14-8)12(18)16-5-3-9(7-17)4-6-16/h9,17H,3-7H2,1-2H3,(H,14,15,19).
What are the key properties of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one?
5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one is sourced from PubChem (CID 60958302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).