4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one

C12H20N4O4 — CID 156513859

IUPAC4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCOC1C(CN)OC(n2cc(C)c(N)nc2=O)C1OC
InChIInChI=1S/C12H20N4O4/c1-6-5-16(12(17)15-10(6)14)11-9(19-3)8(18-2)7(4-13)20-11/h5,7-9,11H,4,13H2,1-3H3,(H2,14,15,17)
InChIKeyPVTXFZGZKKUYHL-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.98
Rot. Bonds4

About 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 156513859) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID156513859
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCOC1C(CN)OC(n2cc(C)c(N)nc2=O)C1OC
InChIInChI=1S/C12H20N4O4/c1-6-5-16(12(17)15-10(6)14)11-9(19-3)8(18-2)7(4-13)20-11/h5,7-9,11H,4,13H2,1-3H3,(H2,14,15,17)
InChIKeyPVTXFZGZKKUYHL-UHFFFAOYSA-N
XLogP-0.98
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[(2R,3S,5R)-3-but-3-ynoxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 155657461
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylperoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 175232169
4-amino-1-[(2R,3R,4R,5R)-3-ethoxy-5-ethyl-4-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 159480028
4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 97311787
4-amino-1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one;1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159514642
4-amino-1-[(2R,4S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidin-2-one
CID 153457446
[(2R,3S,4R,5R)-4-acetyloxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl acetate
CID 87409796
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;phosphoric acid
CID 71239319
4-amino-5-chloro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 162660228
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane
CID 131845132

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one (CID 156513859) is 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one is COC1C(CN)OC(n2cc(C)c(N)nc2=O)C1OC.
What is the InChIKey of 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is PVTXFZGZKKUYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-6-5-16(12(17)15-10(6)14)11-9(19-3)8(18-2)7(4-13)20-11/h5,7-9,11H,4,13H2,1-3H3,(H2,14,15,17).
What are the key properties of 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 284.32 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 156513859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).