4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one

C10H15N3OS — CID 136789522

IUPAC4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SC[C@H]2CCCN2)n1
InChIInChI=1S/C10H15N3OS/c1-7-5-9(14)13-10(12-7)15-6-8-3-2-4-11-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyWOYMAJDWLALTKP-MRVPVSSYSA-N
MW225.32 g/mol
LogP0.92
Rot. Bonds3

About 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one

4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 136789522) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID136789522
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SC[C@H]2CCCN2)n1
InChIInChI=1S/C10H15N3OS/c1-7-5-9(14)13-10(12-7)15-6-8-3-2-4-11-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyWOYMAJDWLALTKP-MRVPVSSYSA-N
XLogP0.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
2-(2-amino-2-cyclopentylethyl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913797
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-3H-benzimidazol-5-amine
CID 102820465
4,6-dimethyl-2-(3-pyrrolidin-2-ylpropylsulfanyl)pyrimidine
CID 62480857
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
CID 72716508
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 146025468
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
4-amino-2-(piperidin-4-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135974734
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913802
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one (CID 136789522) is 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SC[C@H]2CCCN2)n1.
What is the InChIKey of 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is WOYMAJDWLALTKP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-5-9(14)13-10(12-7)15-6-8-3-2-4-11-8/h5,8,11H,2-4,6H2,1H3,(H,12,13,14)/t8-/m1/s1.
What are the key properties of 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136789522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).