4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one

C12H19N3O2 — CID 59223220

IUPAC4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(C)[C@@H]1C
InChIInChI=1S/C12H19N3O2/c1-4-9-7(2)8(3)11(17-9)15-6-5-10(13)14-12(15)16/h5-9,11H,4H2,1-3H3,(H2,13,14,16)/t7-,8?,9+,11+/m0/s1
InChIKeyTVSMNJYETRWDMQ-DUFLWWROSA-N
MW237.30 g/mol
LogP1.41
Rot. Bonds2

About 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one (PubChem CID 59223220) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
PubChem CID59223220
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(C)[C@@H]1C
InChIInChI=1S/C12H19N3O2/c1-4-9-7(2)8(3)11(17-9)15-6-5-10(13)14-12(15)16/h5-9,11H,4H2,1-3H3,(H2,13,14,16)/t7-,8?,9+,11+/m0/s1
InChIKeyTVSMNJYETRWDMQ-DUFLWWROSA-N
XLogP1.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one
CID 59084573
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 135354225
4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 71210588
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142243
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59188005
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
4-amino-1-[(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 12795778

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one (CID 59223220) is 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one is CC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(C)[C@@H]1C.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is TVSMNJYETRWDMQ-DUFLWWROSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-9-7(2)8(3)11(17-9)15-6-5-10(13)14-12(15)16/h5-9,11H,4H2,1-3H3,(H2,13,14,16)/t7-,8?,9+,11+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 59223220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).