1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C24H25N3O4 — CID 57386015

IUPAC1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N3O4/c28-21-13-16-26(23(30)25-21)17-14-22(29)27-15-7-12-20(27)24(31,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,16,20,31H,7,12,14-15,17H2,(H,25,28,30)/t20-/m0/s1
InChIKeyNAZAHTMZUJXNHN-FQEVSTJZSA-N
MW419.48 g/mol
LogP1.85
Rot. Bonds6

About 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 57386015) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID57386015
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N3O4/c28-21-13-16-26(23(30)25-21)17-14-22(29)27-15-7-12-20(27)24(31,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,16,20,31H,7,12,14-15,17H2,(H,25,28,30)/t20-/m0/s1
InChIKeyNAZAHTMZUJXNHN-FQEVSTJZSA-N
XLogP1.85
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-({(2r)-2-[hydroxy(Diphenyl)methyl]pyrrolidin-1-Yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-Dione
CID 49786956
1-[4-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45107976
1-[4-[(2S)-2-[bis(4-fluorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108053
1-[4-[(2S)-2-[bis(3-fluorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108085
1-[4-[(2S)-2-[bis(3-chlorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 57385745
1-[3-[(2R)-2-[bis(3-fluorophenyl)-hydroxymethyl]pyrrolidin-1-yl]sulfonylpropyl]pyrimidine-2,4-dione
CID 57386271
1-[3-[(2R)-2-[bis(4-fluorophenyl)-hydroxymethyl]pyrrolidin-1-yl]sulfonylpropyl]pyrimidine-2,4-dione
CID 57386272
1-[4-[(2S)-2-[bis(4-chlorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108054
4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide
CID 44622389
1-[4-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108087
4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide
CID 57385744
1-[3-[2-[Bis(3-fluorophenyl)-hydroxymethyl]pyrrolidin-1-yl]sulfonylpropyl]pyrimidine-2,4-dione
CID 67021760

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 57386015) is 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is NAZAHTMZUJXNHN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-21-13-16-26(23(30)25-21)17-14-22(29)27-15-7-12-20(27)24(31,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,16,20,31H,7,12,14-15,17H2,(H,25,28,30)/t20-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 419.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 57386015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).