4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one

C12H20N4O4 — CID 156825342

IUPAC4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC1(COC(O)CN)CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C12H20N4O4/c1-12(7-19-10(17)6-13)4-2-9(20-12)16-5-3-8(14)15-11(16)18/h3,5,9-10,17H,2,4,6-7,13H2,1H3,(H2,14,15,18)/t9-,10?,12?/m1/s1
InChIKeyMPKMAKWDBRZQCQ-GRZMOONWSA-N
MW284.32 g/mol
LogP-0.81
Rot. Bonds5

About 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 156825342) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID156825342
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC1(COC(O)CN)CC[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C12H20N4O4/c1-12(7-19-10(17)6-13)4-2-9(20-12)16-5-3-8(14)15-11(16)18/h3,5,9-10,17H,2,4,6-7,13H2,1H3,(H2,14,15,18)/t9-,10?,12?/m1/s1
InChIKeyMPKMAKWDBRZQCQ-GRZMOONWSA-N
XLogP-0.81
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 142192946
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
CID 138526614
4-amino-1-[(2R,5S)-5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11345359
4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 144900272
[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 163556647
4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
4-amino-1-[(2R,5S)-5-(chloromethyl)-5-[(Z)-2-dimethoxyphosphoryl-2-fluoroethenyl]oxolan-2-yl]pyrimidin-2-one
CID 147125428
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
[2-[5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)oxolan-2-yl]-1-fluoropropyl]-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 123339899
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid
CID 102277753
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one (CID 156825342) is 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one is CC1(COC(O)CN)CC[C@H](n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is MPKMAKWDBRZQCQ-GRZMOONWSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(7-19-10(17)6-13)4-2-9(20-12)16-5-3-8(14)15-11(16)18/h3,5,9-10,17H,2,4,6-7,13H2,1H3,(H2,14,15,18)/t9-,10?,12?/m1/s1.
What are the key properties of 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 284.32 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 156825342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).