4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine

C10H16N4O2 — CID 118614085

IUPAC4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine
SMILESCn1c(N2CCOCC2)nc2c1CN(O)C2
InChIInChI=1S/C10H16N4O2/c1-12-9-7-14(15)6-8(9)11-10(12)13-2-4-16-5-3-13/h15H,2-7H2,1H3
InChIKeySLMRNUBAIYCQMT-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.04
Rot. Bonds1

About 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine

4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine (PubChem CID 118614085) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine
PubChem CID118614085
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine
SMILESCn1c(N2CCOCC2)nc2c1CN(O)C2
InChIInChI=1S/C10H16N4O2/c1-12-9-7-14(15)6-8(9)11-10(12)13-2-4-16-5-3-13/h15H,2-7H2,1H3
InChIKeySLMRNUBAIYCQMT-UHFFFAOYSA-N
XLogP-0.04
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine?
The IUPAC name of 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine (CID 118614085) is 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine?
The canonical SMILES for 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine is Cn1c(N2CCOCC2)nc2c1CN(O)C2.
What is the InChIKey of 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine?
The InChIKey is SLMRNUBAIYCQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12-9-7-14(15)6-8(9)11-10(12)13-2-4-16-5-3-13/h15H,2-7H2,1H3.
What are the key properties of 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine?
4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine has a molecular weight of 224.26 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine is sourced from PubChem (CID 118614085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).