4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one

C10H17N3O5 — CID 129301961

IUPAC4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
SMILESCO[C@H]([C@H](O)[C@@H](CO)OC)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O5/c1-17-6(5-14)8(15)9(18-2)13-4-3-7(11)12-10(13)16/h3-4,6,8-9,14-15H,5H2,1-2H3,(H2,11,12,16)/t6-,8-,9-/m1/s1
InChIKeySCZDPAYNGFSEQT-FTLITQJKSA-N
MW259.26 g/mol
LogP-1.66
Rot. Bonds6

About 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one

4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one (PubChem CID 129301961) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
PubChem CID129301961
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
SMILESCO[C@H]([C@H](O)[C@@H](CO)OC)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O5/c1-17-6(5-14)8(15)9(18-2)13-4-3-7(11)12-10(13)16/h3-4,6,8-9,14-15H,5H2,1-2H3,(H2,11,12,16)/t6-,8-,9-/m1/s1
InChIKeySCZDPAYNGFSEQT-FTLITQJKSA-N
XLogP-1.66
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-1-[(1R,2R,3S)-1,4-dihydroxy-3-methoxy-2-methylbutyl]pyrimidin-2-one
CID 129301976
4-amino-1-[1-[(2S)-4-hydroxy-1,3-dimethoxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 173465411
4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
CID 71218250
4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one
CID 91162664
4-amino-1-[1-[(3R,4R)-4,5-dihydroxyhexan-3-yl]oxyethyl]pyrimidin-2-one
CID 71212015
[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate
CID 70998723
4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one
CID 71171636
4-amino-1-[(1R,2R,3R)-1-fluoro-2-hydroxy-3-(hydroxymethyl)-3-methoxy-4-methylsulfanylbutyl]pyrimidin-2-one
CID 155070127
4-amino-1-(3,4-dihydroxy-1,1,1-triphenylbutan-2-yl)pyrimidin-2-one
CID 175601508
(2S,3S,4R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxy-5-triphenylsilyloxypentanenitrile
CID 163784328

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one (CID 129301961) is 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one is CO[C@H]([C@H](O)[C@@H](CO)OC)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one?
The InChIKey is SCZDPAYNGFSEQT-FTLITQJKSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-17-6(5-14)8(15)9(18-2)13-4-3-7(11)12-10(13)16/h3-4,6,8-9,14-15H,5H2,1-2H3,(H2,11,12,16)/t6-,8-,9-/m1/s1.
What are the key properties of 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one?
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one has a molecular weight of 259.26 g/mol, XLogP of -1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one is sourced from PubChem (CID 129301961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).