4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one

C10H17N3O4 — CID 70991882

IUPAC4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
SMILESCC(O)[C@@H](CO)OC(C)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O4/c1-6(15)8(5-14)17-7(2)13-4-3-9(11)12-10(13)16/h3-4,6-8,14-15H,5H2,1-2H3,(H2,11,12,16)/t6?,7?,8-/m1/s1
InChIKeyUMHKXMOLMXEJCX-KAVNDROISA-N
MW243.26 g/mol
LogP-0.90
Rot. Bonds5

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

4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one (PubChem CID 70991882) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
PubChem CID70991882
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
SMILESCC(O)[C@@H](CO)OC(C)n1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O4/c1-6(15)8(5-14)17-7(2)13-4-3-9(11)12-10(13)16/h3-4,6-8,14-15H,5H2,1-2H3,(H2,11,12,16)/t6?,7?,8-/m1/s1
InChIKeyUMHKXMOLMXEJCX-KAVNDROISA-N
XLogP-0.90
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate
CID 70998723
4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
CID 71218250
4-amino-1-[1-[(3R,4R)-4,5-dihydroxyhexan-3-yl]oxyethyl]pyrimidin-2-one
CID 71212015
4-amino-1-[1-[(2S)-4-hydroxy-1,3-dimethoxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 173465411
CID 144985274
CID 144985274
4-amino-1-[(1R,2R,3S)-1,4-dihydroxy-3-methoxy-2-methylbutyl]pyrimidin-2-one
CID 129301976
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
CID 129301961
4-(chloroamino)-1-[(1R)-1-[(2R,3R)-1,3-dihydroxybutan-2-yl]oxy-2-hydroxyethyl]pyrimidin-2-one
CID 90124703
4-amino-1-[1-[(2S)-1,4-dihydroxy-3-(2-methoxyhydrazinyl)-3-methylbutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70973153
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one (CID 70991882) is 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one is CC(O)[C@@H](CO)OC(C)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
The InChIKey is UMHKXMOLMXEJCX-KAVNDROISA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(15)8(5-14)17-7(2)13-4-3-9(11)12-10(13)16/h3-4,6-8,14-15H,5H2,1-2H3,(H2,11,12,16)/t6?,7?,8-/m1/s1.
What are the key properties of 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one has a molecular weight of 243.26 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one is sourced from PubChem (CID 70991882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).