2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one

C16H19N3O2S — CID 136776176

IUPAC2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CSc2ccccc2)nc(NC[C@H]2CCCO2)[nH]1
InChIInChI=1S/C16H19N3O2S/c20-15-9-12(11-22-14-6-2-1-3-7-14)18-16(19-15)17-10-13-5-4-8-21-13/h1-3,6-7,9,13H,4-5,8,10-11H2,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyVPYPDALXDPWLNW-CYBMUJFWSA-N
MW317.41 g/mol
LogP2.65
Rot. Bonds6

About 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one

2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 136776176) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID136776176
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CSc2ccccc2)nc(NC[C@H]2CCCO2)[nH]1
InChIInChI=1S/C16H19N3O2S/c20-15-9-12(11-22-14-6-2-1-3-7-14)18-16(19-15)17-10-13-5-4-8-21-13/h1-3,6-7,9,13H,4-5,8,10-11H2,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyVPYPDALXDPWLNW-CYBMUJFWSA-N
XLogP2.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
CID 136900705
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
4-(phenylsulfanylmethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 135426523
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 41094256
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
CID 137288300
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
CID 43834769
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one (CID 136776176) is 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one is O=c1cc(CSc2ccccc2)nc(NC[C@H]2CCCO2)[nH]1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is VPYPDALXDPWLNW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15-9-12(11-22-14-6-2-1-3-7-14)18-16(19-15)17-10-13-5-4-8-21-13/h1-3,6-7,9,13H,4-5,8,10-11H2,(H2,17,18,19,20)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 317.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methylamino]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136776176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).