4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one

C12H19N3O5 — CID 146237726

IUPAC4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCOC(CO)C1OC(C)(C)OC1n1ccc(N)nc1=O
InChIInChI=1S/C12H19N3O5/c1-12(2)19-9(7(6-16)18-3)10(20-12)15-5-4-8(13)14-11(15)17/h4-5,7,9-10,16H,6H2,1-3H3,(H2,13,14,17)
InChIKeyAHMLYZKBTAZSJZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.52
Rot. Bonds4

About 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one

4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one (PubChem CID 146237726) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
PubChem CID146237726
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCOC(CO)C1OC(C)(C)OC1n1ccc(N)nc1=O
InChIInChI=1S/C12H19N3O5/c1-12(2)19-9(7(6-16)18-3)10(20-12)15-5-4-8(13)14-11(15)17/h4-5,7,9-10,16H,6H2,1-3H3,(H2,13,14,17)
InChIKeyAHMLYZKBTAZSJZ-UHFFFAOYSA-N
XLogP-0.52
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-5-fluoro-1-[(4R,5R)-5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 143839204
4-amino-1-[2-[(1S)-2-hydroxy-1-methoxyethyl]cyclopropyl]pyrimidin-2-one
CID 163774560
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidin-2-one
CID 66725496
[(4R,6R)-4-(4-amino-2-oxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
CID 134867420
4-amino-1-[(2R,3R,4S,5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 163968388
4-amino-1-[3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22677597
[1-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
CID 171390727
[4-(4-amino-2-oxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl pentanoate
CID 143836525
4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methylsulfanyloxolan-2-yl]pyrimidin-2-one
CID 71761488
1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]-4-aminopyrimidin-2-one
CID 126723323
4-amino-1-[(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 12795778
4-amino-1-[5-azido-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one
CID 22677591

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one (CID 146237726) is 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one is COC(CO)C1OC(C)(C)OC1n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
The InChIKey is AHMLYZKBTAZSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-12(2)19-9(7(6-16)18-3)10(20-12)15-5-4-8(13)14-11(15)17/h4-5,7,9-10,16H,6H2,1-3H3,(H2,13,14,17).
What are the key properties of 4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one?
4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one has a molecular weight of 285.30 g/mol, XLogP of -0.52, 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-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one is sourced from PubChem (CID 146237726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).