[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

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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).