1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C18H24N4O4 — CID 18658253

IUPAC1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](C(CNN)Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O4/c1-11-10-22(18(25)21-17(11)24)15-8-14(23)16(26-15)13(9-20-19)7-12-5-3-2-4-6-12/h2-6,10,13-16,20,23H,7-9,19H2,1H3,(H,21,24,25)/t13?,14-,15+,16+/m0/s1
InChIKeyOLAALFWJMSHZKN-JAAVRUMLSA-N
MW360.41 g/mol
LogP-0.18
Rot. Bonds6

About 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 18658253) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID18658253
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](C(CNN)Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O4/c1-11-10-22(18(25)21-17(11)24)15-8-14(23)16(26-15)13(9-20-19)7-12-5-3-2-4-6-12/h2-6,10,13-16,20,23H,7-9,19H2,1H3,(H,21,24,25)/t13?,14-,15+,16+/m0/s1
InChIKeyOLAALFWJMSHZKN-JAAVRUMLSA-N
XLogP-0.18
TPSA122.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4S,5S)-5-[(1,3-diphenylimidazolidin-2-yl)-hydroxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159720661
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
methyl (2S)-2-[[(E)-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 51360169
1-[(2R,4S,5S)-4-hydroxy-5-[hydroxy-(prop-2-enylamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67875373
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10882581
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011
1-[(2R,4S,5R)-4-hydroxy-5-[(tritylamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54327478
1-[(2R,4S,5R)-5-(benzhydryloxymethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22877790
1-[(2R,4R,5R)-4-amino-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3000338
aminophosphonic acid;3-[2-carboxyethyl-[hydroxy-[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]amino]propanoic acid
CID 66599490
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22883960

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 18658253) is 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](C(CNN)Cc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is OLAALFWJMSHZKN-JAAVRUMLSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11-10-22(18(25)21-17(11)24)15-8-14(23)16(26-15)13(9-20-19)7-12-5-3-2-4-6-12/h2-6,10,13-16,20,23H,7-9,19H2,1H3,(H,21,24,25)/t13?,14-,15+,16+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 18658253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).