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

C9H15N3O4 — CID 71170305

IUPAC4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one
SMILESCOC[C@@H](O)[C@@](C)(O)n1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O4/c1-9(15,6(13)5-16-2)12-4-3-7(10)11-8(12)14/h3-4,6,13,15H,5H2,1-2H3,(H2,10,11,14)/t6-,9-/m1/s1
InChIKeyIHLGFGHAGFLCPI-HZGVNTEJSA-N
MW229.24 g/mol
LogP-1.50
Rot. Bonds4

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

4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one (PubChem CID 71170305) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one
PubChem CID71170305
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one
SMILESCOC[C@@H](O)[C@@](C)(O)n1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O4/c1-9(15,6(13)5-16-2)12-4-3-7(10)11-8(12)14/h3-4,6,13,15H,5H2,1-2H3,(H2,10,11,14)/t6-,9-/m1/s1
InChIKeyIHLGFGHAGFLCPI-HZGVNTEJSA-N
XLogP-1.50
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
CID 155393177
4-amino-1-[1-[(2S)-4-hydroxy-1,3-dimethoxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 173465411
4-amino-1-[(1R,2R,3S)-1,4-dihydroxy-3-methoxy-2-methylbutyl]pyrimidin-2-one
CID 129301976
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
CID 129301961
[(2S,3R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-1,3-dihydroxy-2-methoxybutan-2-yl] hypofluorite
CID 134366143
4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one
CID 91162664
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one
CID 163774560
4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one
CID 71171636

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one (CID 71170305) is 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one is COC[C@@H](O)[C@@](C)(O)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one?
The InChIKey is IHLGFGHAGFLCPI-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-9(15,6(13)5-16-2)12-4-3-7(10)11-8(12)14/h3-4,6,13,15H,5H2,1-2H3,(H2,10,11,14)/t6-,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one has a molecular weight of 229.24 g/mol, XLogP of -1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R)-2,3-dihydroxy-4-methoxybutan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 71170305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).