[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate

C16H28N4O6 — CID 70998723

IUPAC[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OC(C(C)O)C(CO)OC(C)n1ccc(N)nc1=O
InChIInChI=1S/C16H28N4O6/c1-8(2)13(18)15(23)26-14(9(3)22)11(7-21)25-10(4)20-6-5-12(17)19-16(20)24/h5-6,8-11,13-14,21-22H,7,18H2,1-4H3,(H2,17,19,24)
InChIKeyRBMUTEUYUHSERP-UHFFFAOYSA-N
MW372.42 g/mol
LogP-1.00
Rot. Bonds9

About [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate

[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate (PubChem CID 70998723) has the molecular formula C16H28N4O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate
PubChem CID70998723
Molecular FormulaC16H28N4O6
Molecular Weight372.42 g/mol
Exact Mass372.20
IUPAC Name[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OC(C(C)O)C(CO)OC(C)n1ccc(N)nc1=O
InChIInChI=1S/C16H28N4O6/c1-8(2)13(18)15(23)26-14(9(3)22)11(7-21)25-10(4)20-6-5-12(17)19-16(20)24/h5-6,8-11,13-14,21-22H,7,18H2,1-4H3,(H2,17,19,24)
InChIKeyRBMUTEUYUHSERP-UHFFFAOYSA-N
XLogP-1.00
TPSA162.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate 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

4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882
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-amino-1-[1-[(2S)-1,4-dihydroxy-3-(2-methoxyhydrazinyl)-3-methylbutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70973153
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
[(2S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 59909231

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate?
The IUPAC name of [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate (CID 70998723) is [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate.
What is the SMILES notation for [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate?
The canonical SMILES for [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)OC(C(C)O)C(CO)OC(C)n1ccc(N)nc1=O.
What is the InChIKey of [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate?
The InChIKey is RBMUTEUYUHSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O6/c1-8(2)13(18)15(23)26-14(9(3)22)11(7-21)25-10(4)20-6-5-12(17)19-16(20)24/h5-6,8-11,13-14,21-22H,7,18H2,1-4H3,(H2,17,19,24).
What are the key properties of [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate?
[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate has a molecular weight of 372.42 g/mol, XLogP of -1.00, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 70998723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).