1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea

C19H24N4O4S — CID 23634746

IUPAC1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea
SMILESCc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4S/c1-12-11-23(19(26)22-17(12)25)16-9-14(24)15(27-16)10-21-18(28)20-8-7-13-5-3-2-4-6-13/h2-6,11,14-16,24H,7-10H2,1H3,(H2,20,21,28)(H,22,25,26)/t14-,15+,16-/m0/s1
InChIKeyZNUVBASGJODLCL-XHSDSOJGSA-N
MW404.49 g/mol
LogP0.20
Rot. Bonds6

About 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea

1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea (PubChem CID 23634746) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea
PubChem CID23634746
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea
SMILESCc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4S/c1-12-11-23(19(26)22-17(12)25)16-9-14(24)15(27-16)10-21-18(28)20-8-7-13-5-3-2-4-6-13/h2-6,11,14-16,24H,7-10H2,1H3,(H2,20,21,28)(H,22,25,26)/t14-,15+,16-/m0/s1
InChIKeyZNUVBASGJODLCL-XHSDSOJGSA-N
XLogP0.20
TPSA108.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea 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',5'-Dideoxy-5'-[(Diphenylmethyl)amino]uridine
CID 54753440
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2-phenyl-acetamide
CID 5272853
2-(2,6-Dimethyl-phenyl)-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-acetamide
CID 44290095
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
CID 5275939
2'-Deoxy-5-[(4-methylphenyl)ethynyl]uridine
CID 13008875
N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-(2-trifluoromethyl-phenyl)-acetamide
CID 44290060
2-Biphenyl-2-yl-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-acetamide
CID 44290061
N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-o-tolyl-acetamide
CID 44290252
N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-(2-fluoro-phenyl)-acetamide
CID 44290253
5-Phenylethynyluridine
CID 11163724
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-styryl]pyrimidine-2,4-dione
CID 6473807
1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-furan-2-yl]-1H-pyrimidine-2,4-dione
CID 44403913

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea (CID 23634746) is 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea is Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCCc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea?
The InChIKey is ZNUVBASGJODLCL-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12-11-23(19(26)22-17(12)25)16-9-14(24)15(27-16)10-21-18(28)20-8-7-13-5-3-2-4-6-13/h2-6,11,14-16,24H,7-10H2,1H3,(H2,20,21,28)(H,22,25,26)/t14-,15+,16-/m0/s1.
What are the key properties of 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea?
1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea has a molecular weight of 404.49 g/mol, XLogP of 0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 23634746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).