3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine

C19H23N7O — CID 52938376

IUPAC3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H23N7O/c20-17-16-19(22-18(21-17)14-6-7-14)26(24-23-16)12-15-11-25(8-9-27-15)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,20,21,22)
InChIKeyXBEROKDSRKZRKO-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.58
Rot. Bonds5

About 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine

3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 52938376) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID52938376
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H23N7O/c20-17-16-19(22-18(21-17)14-6-7-14)26(24-23-16)12-15-11-25(8-9-27-15)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,20,21,22)
InChIKeyXBEROKDSRKZRKO-UHFFFAOYSA-N
XLogP1.58
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine (CID 52938376) is 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C2CC2)nc2c1nnn2CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XBEROKDSRKZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c20-17-16-19(22-18(21-17)14-6-7-14)26(24-23-16)12-15-11-25(8-9-27-15)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,20,21,22).
What are the key properties of 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 365.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylmorpholin-2-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 52938376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).