1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C24H25N5O6 — CID 72712493

IUPAC1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOc1ccc2ccc(OCc3cnnn3[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)cc2c1
InChIInChI=1S/C24H25N5O6/c1-14-11-28(24(32)26-23(14)31)22-9-20(21(12-30)35-22)29-17(10-25-27-29)13-34-19-6-4-15-3-5-18(33-2)7-16(15)8-19/h3-8,10-11,20-22,30H,9,12-13H2,1-2H3,(H,26,31,32)/t20-,21+,22+/m0/s1
InChIKeyBIBQPLJWTMXZKT-BHDDXSALSA-N
MW479.49 g/mol
LogP1.70
Rot. Bonds7

About 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 72712493) has the molecular formula C24H25N5O6 and a molecular weight of 479.49 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID72712493
Molecular FormulaC24H25N5O6
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOc1ccc2ccc(OCc3cnnn3[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)cc2c1
InChIInChI=1S/C24H25N5O6/c1-14-11-28(24(32)26-23(14)31)22-9-20(21(12-30)35-22)29-17(10-25-27-29)13-34-19-6-4-15-3-5-18(33-2)7-16(15)8-19/h3-8,10-11,20-22,30H,9,12-13H2,1-2H3,(H,26,31,32)/t20-,21+,22+/m0/s1
InChIKeyBIBQPLJWTMXZKT-BHDDXSALSA-N
XLogP1.70
TPSA133.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[(2R,5S)-5-(hydroxymethyl)-4-(5-methyltriazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21145631
[(2S,3S,5R)-3-[5-(chloromethyl)triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14606817
1-[(2R,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 50989243
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
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4R,5S)-5-(hydroxymethyl)-4-(methoxyamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 500209
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,5S)-5-(hydroxymethyl)-4-morpholin-4-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21145678
1-[(2S,5R)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 154531744
[(2S,3R,5R)-3-[(4-methoxyphenoxy)methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 11037583
1-[(2R,4S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 46197453
methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 11369613

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 72712493) is 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is COc1ccc2ccc(OCc3cnnn3[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)cc2c1.
What is the InChIKey of 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is BIBQPLJWTMXZKT-BHDDXSALSA-N. The full InChI is InChI=1S/C24H25N5O6/c1-14-11-28(24(32)26-23(14)31)22-9-20(21(12-30)35-22)29-17(10-25-27-29)13-34-19-6-4-15-3-5-18(33-2)7-16(15)8-19/h3-8,10-11,20-22,30H,9,12-13H2,1-2H3,(H,26,31,32)/t20-,21+,22+/m0/s1.
What are the key properties of 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 479.49 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-[(7-methoxynaphthalen-2-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 72712493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).