4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C18H26N4O3 — CID 58497496

IUPAC4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(OCCC2CC2)nc2c1CC(=O)N2CCC1CCOCC1
InChIInChI=1S/C18H26N4O3/c19-16-14-11-15(23)22(7-3-13-4-8-24-9-5-13)17(14)21-18(20-16)25-10-6-12-1-2-12/h12-13H,1-11H2,(H2,19,20,21)
InChIKeyGRHCHANBMJSEPH-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds7

About 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58497496) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58497496
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(OCCC2CC2)nc2c1CC(=O)N2CCC1CCOCC1
InChIInChI=1S/C18H26N4O3/c19-16-14-11-15(23)22(7-3-13-4-8-24-9-5-13)17(14)21-18(20-16)25-10-6-12-1-2-12/h12-13H,1-11H2,(H2,19,20,21)
InChIKeyGRHCHANBMJSEPH-UHFFFAOYSA-N
XLogP1.94
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58497496) is 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(OCCC2CC2)nc2c1CC(=O)N2CCC1CCOCC1.
What is the InChIKey of 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is GRHCHANBMJSEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-16-14-11-15(23)22(7-3-13-4-8-24-9-5-13)17(14)21-18(20-16)25-10-6-12-1-2-12/h12-13H,1-11H2,(H2,19,20,21).
What are the key properties of 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).