1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione

C23H22N4O5 — CID 101210485

IUPAC1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C23H22N4O5/c28-12-18-17(29)9-19(32-18)27-11-16(22(30)26-23(27)31)4-3-13-8-15-6-5-14-2-1-7-24-20(14)21(15)25-10-13/h1-2,5-8,10-11,17-19,28-29H,3-4,9,12H2,(H,26,30,31)/t17-,18+,19+/m0/s1
InChIKeyLRTFUDFOXKQQJV-IPMKNSEASA-N
MW434.45 g/mol
LogP1.06
Rot. Bonds5

About 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 101210485) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione
PubChem CID101210485
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C23H22N4O5/c28-12-18-17(29)9-19(32-18)27-11-16(22(30)26-23(27)31)4-3-13-8-15-6-5-14-2-1-7-24-20(14)21(15)25-10-13/h1-2,5-8,10-11,17-19,28-29H,3-4,9,12H2,(H,26,30,31)/t17-,18+,19+/m0/s1
InChIKeyLRTFUDFOXKQQJV-IPMKNSEASA-N
XLogP1.06
TPSA130.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione 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

5-(2-hydroxyethyl)-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71749030
5-(2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22211374
5-butyl-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67067016
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyren-2-ylpyrimidine-2,4-dione
CID 89241147
1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-iminopropyl)pyrimidine-2,4-dione
CID 57295444
5-(5-fluoropentyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 44568894
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59189483
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-methylphenyl)sulfanylmethyl]pyrimidine-2,4-dione
CID 131886537
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-naphthalen-2-yloxypyrimidine-2,4-dione
CID 23762509
5-(ethylsulfanylmethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6481569
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione
CID 140614756
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione (CID 101210485) is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCc1cnc2c(ccc3cccnc32)c1.
What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is LRTFUDFOXKQQJV-IPMKNSEASA-N. The full InChI is InChI=1S/C23H22N4O5/c28-12-18-17(29)9-19(32-18)27-11-16(22(30)26-23(27)31)4-3-13-8-15-6-5-14-2-1-7-24-20(14)21(15)25-10-13/h1-2,5-8,10-11,17-19,28-29H,3-4,9,12H2,(H,26,30,31)/t17-,18+,19+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 434.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 101210485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).