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

C11H18N4O2 — CID 59188005

IUPAC4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[C@H]1OC(n2cnc(N)nc2=O)C(C)[C@H]1C
InChIInChI=1S/C11H18N4O2/c1-4-8-6(2)7(3)9(17-8)15-5-13-10(12)14-11(15)16/h5-9H,4H2,1-3H3,(H2,12,14,16)/t6-,7?,8-,9?/m1/s1
InChIKeyRHLTWZRNDWGXRF-PKVQOTHRSA-N
MW238.29 g/mol
LogP0.80
Rot. Bonds2

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

4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one (PubChem CID 59188005) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one
PubChem CID59188005
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one
SMILESCC[C@H]1OC(n2cnc(N)nc2=O)C(C)[C@H]1C
InChIInChI=1S/C11H18N4O2/c1-4-8-6(2)7(3)9(17-8)15-5-13-10(12)14-11(15)16/h5-9H,4H2,1-3H3,(H2,12,14,16)/t6-,7?,8-,9?/m1/s1
InChIKeyRHLTWZRNDWGXRF-PKVQOTHRSA-N
XLogP0.80
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one (CID 59188005) is 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one is CC[C@H]1OC(n2cnc(N)nc2=O)C(C)[C@H]1C.
What is the InChIKey of 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one?
The InChIKey is RHLTWZRNDWGXRF-PKVQOTHRSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-8-6(2)7(3)9(17-8)15-5-13-10(12)14-11(15)16/h5-9H,4H2,1-3H3,(H2,12,14,16)/t6-,7?,8-,9?/m1/s1.
What are the key properties of 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one?
4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one is sourced from PubChem (CID 59188005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).