4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one

C17H21N3O3S — CID 144905759

IUPAC4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
SMILESCC1(O)CC(COCc2ccccc2)SC1n1ccc(N)nc1=O
InChIInChI=1S/C17H21N3O3S/c1-17(22)9-13(11-23-10-12-5-3-2-4-6-12)24-15(17)20-8-7-14(18)19-16(20)21/h2-8,13,15,22H,9-11H2,1H3,(H2,18,19,21)
InChIKeyNMYIWPPCRKQTIK-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one

4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one (PubChem CID 144905759) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
PubChem CID144905759
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
SMILESCC1(O)CC(COCc2ccccc2)SC1n1ccc(N)nc1=O
InChIInChI=1S/C17H21N3O3S/c1-17(22)9-13(11-23-10-12-5-3-2-4-6-12)24-15(17)20-8-7-14(18)19-16(20)21/h2-8,13,15,22H,9-11H2,1H3,(H2,18,19,21)
InChIKeyNMYIWPPCRKQTIK-UHFFFAOYSA-N
XLogP1.80
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-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

4-amino-1-[3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 144905769
4-amino-1-[(2R,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 11398434
4-amino-1-[(4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 101108227
4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one
CID 70284737
[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dibenzoyloxythiolan-2-yl]methyl benzoate
CID 175034857
4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 144900272
4-amino-1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 25062015
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 67331935
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-3-methyl-5-[[[[(2S)-3-oxobutan-2-yl]amino]-phenylmethoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 59367500
4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71083164
N-[2-oxo-1-[(2R,5R)-2-(phenylmethoxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-4-yl]acetamide
CID 11360415
4-amino-1-[4,4-bis(hydroxymethyl)-2-methylcyclopent-2-en-1-yl]pyrimidin-2-one
CID 11482118

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one (CID 144905759) is 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one is CC1(O)CC(COCc2ccccc2)SC1n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one?
The InChIKey is NMYIWPPCRKQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(22)9-13(11-23-10-12-5-3-2-4-6-12)24-15(17)20-8-7-14(18)19-16(20)21/h2-8,13,15,22H,9-11H2,1H3,(H2,18,19,21).
What are the key properties of 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one?
4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one has a molecular weight of 347.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 144905759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).