1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione

C14H23N3O5 — CID 21145810

IUPAC1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione
SMILESCCC(C)OCc1cn([C@H]2CC(N)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O5/c1-3-8(2)21-7-9-5-17(14(20)16-13(9)19)12-4-10(15)11(6-18)22-12/h5,8,10-12,18H,3-4,6-7,15H2,1-2H3,(H,16,19,20)/t8?,10?,11-,12-/m1/s1
InChIKeyZFEAVDZPQMQLAW-DPHRUIKTSA-N
MW313.35 g/mol
LogP-0.54
Rot. Bonds6

About 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione

1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione (PubChem CID 21145810) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione
PubChem CID21145810
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione
SMILESCCC(C)OCc1cn([C@H]2CC(N)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O5/c1-3-8(2)21-7-9-5-17(14(20)16-13(9)19)12-4-10(15)11(6-18)22-12/h5,8,10-12,18H,3-4,6-7,15H2,1-2H3,(H,16,19,20)/t8?,10?,11-,12-/m1/s1
InChIKeyZFEAVDZPQMQLAW-DPHRUIKTSA-N
XLogP-0.54
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118311659
5-(ethoxymethyl)-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67942314
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 14430116
5-(ethoxymethyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 90863231
CID 10265641
CID 10265641
5-ethyl-1-[(2S,5S)-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidine-2,4-dione
CID 57209657
ethyl 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 13023019
(2S)-2-amino-N-[(2S,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]propanamide
CID 14515583
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione
CID 140614756
5-butyl-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67067016
5-(cyclopropylselanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 140614758
methyl 2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 70567340

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione (CID 21145810) is 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione is CCC(C)OCc1cn([C@H]2CC(N)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione?
The InChIKey is ZFEAVDZPQMQLAW-DPHRUIKTSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-3-8(2)21-7-9-5-17(14(20)16-13(9)19)12-4-10(15)11(6-18)22-12/h5,8,10-12,18H,3-4,6-7,15H2,1-2H3,(H,16,19,20)/t8?,10?,11-,12-/m1/s1.
What are the key properties of 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione?
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione has a molecular weight of 313.35 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(butan-2-yloxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 21145810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).