2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one

C17H20N6O4 — CID 135258040

IUPAC2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCC1=CN([C@H]2C[C@H](n3cc(-c4ccccn4)nn3)[C@@H](CO)O2)C(O)NC1=O
InChIInChI=1S/C17H20N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,17,24,26H,6,9H2,1H3,(H,19,25)/t13-,14+,15+,17?/m0/s1
InChIKeyKYDJNHMTOMCZDA-HGJUEJOTSA-N
MW372.39 g/mol
LogP-0.40
Rot. Bonds4

About 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one

2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 135258040) has the molecular formula C17H20N6O4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
PubChem CID135258040
Molecular FormulaC17H20N6O4
Molecular Weight372.39 g/mol
Exact Mass372.15
IUPAC Name2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCC1=CN([C@H]2C[C@H](n3cc(-c4ccccn4)nn3)[C@@H](CO)O2)C(O)NC1=O
InChIInChI=1S/C17H20N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,17,24,26H,6,9H2,1H3,(H,19,25)/t13-,14+,15+,17?/m0/s1
InChIKeyKYDJNHMTOMCZDA-HGJUEJOTSA-N
XLogP-0.40
TPSA125.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one with MolForge

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Related Compounds

1-[(2R,4S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 46197453
2-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 21036329
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-2-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885335
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-quinolin-4-yltriazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 72712496
[(1S,3R,4R)-3-iodo-4-(4-pyridin-2-yltriazol-1-yl)cyclopentyl]methanol
CID 24740445
1-[(2R,4S,5S)-4-(4-benzyltriazol-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-4-[4-(cyclopentylmethyl)triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidine-2,4-dione;1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 160854545
1-[(4S,5S)-4-[4-(3-bromophenyl)triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118857048
5-fluoro-2-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-6-one
CID 163880469
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenyl)-5-(4-pyridin-2-yltriazol-1-yl)oxane-3,4-diol
CID 57326671
3-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
CID 4182704
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3R,4R,5S)-4-hydroxy-5-(4-pyridin-2-yltriazol-1-yl)oxan-3-yl]sulfanyl-5-methoxy-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-3-ol
CID 155797775
1-[(4S,5S)-5-(hydroxymethyl)-4-(4-propyltriazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118861454

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one (CID 135258040) is 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one is CC1=CN([C@H]2C[C@H](n3cc(-c4ccccn4)nn3)[C@@H](CO)O2)C(O)NC1=O.
What is the InChIKey of 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is KYDJNHMTOMCZDA-HGJUEJOTSA-N. The full InChI is InChI=1S/C17H20N6O4/c1-10-7-22(17(26)19-16(10)25)15-6-13(14(9-24)27-15)23-8-12(20-21-23)11-4-2-3-5-18-11/h2-5,7-8,13-15,17,24,26H,6,9H2,1H3,(H,19,25)/t13-,14+,15+,17?/m0/s1.
What are the key properties of 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one?
2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 372.39 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 135258040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).