1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione

C27H26N2O4 — CID 124896644

IUPAC1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H26N2O4/c1-20-17-29(26(32)28-25(20)31)18-24(30)19-33-27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,24,30H,18-19H2,1H3,(H,28,31,32)/t24-/m0/s1
InChIKeyHASJNHZUZNABTN-DEOSSOPVSA-N
MW442.52 g/mol
LogP3.21
Rot. Bonds8

About 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione

1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione (PubChem CID 124896644) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione
PubChem CID124896644
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H26N2O4/c1-20-17-29(26(32)28-25(20)31)18-24(30)19-33-27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,24,30H,18-19H2,1H3,(H,28,31,32)/t24-/m0/s1
InChIKeyHASJNHZUZNABTN-DEOSSOPVSA-N
XLogP3.21
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-5-bromopyrimidine-2,4-dione
CID 54753566
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 15403823
1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione
CID 116790659
5-methyl-1-[(1R)-1-[(2S)-1-trityloxybut-3-en-2-yl]oxyprop-2-enyl]pyrimidine-2,4-dione
CID 11454727
1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10745415
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione;methylsulfinylmethane;dihydrate
CID 139190226
5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
CID 69344214
3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-1H-pyrimidine-2,4-dione
CID 170329075
1-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14352037
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 514178
1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11755083

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione (CID 124896644) is 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HASJNHZUZNABTN-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-20-17-29(26(32)28-25(20)31)18-24(30)19-33-27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,24,30H,18-19H2,1H3,(H,28,31,32)/t24-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione?
1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 442.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-trityloxypropyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 124896644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).