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

C19H28N4O3 — CID 58497567

IUPAC4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(OCCC2CC2)nc2c1CC(=O)N2CCCC1CCCCO1
InChIInChI=1S/C19H28N4O3/c20-17-15-12-16(24)23(9-3-5-14-4-1-2-10-25-14)18(15)22-19(21-17)26-11-8-13-6-7-13/h13-14H,1-12H2,(H2,20,21,22)
InChIKeyPQUXYNKZLFNPHV-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.48
Rot. Bonds8

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

4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58497567) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58497567
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(OCCC2CC2)nc2c1CC(=O)N2CCCC1CCCCO1
InChIInChI=1S/C19H28N4O3/c20-17-15-12-16(24)23(9-3-5-14-4-1-2-10-25-14)18(15)22-19(21-17)26-11-8-13-6-7-13/h13-14H,1-12H2,(H2,20,21,22)
InChIKeyPQUXYNKZLFNPHV-UHFFFAOYSA-N
XLogP2.48
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.48
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-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58497567) is 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(OCCC2CC2)nc2c1CC(=O)N2CCCC1CCCCO1.
What is the InChIKey of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PQUXYNKZLFNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c20-17-15-12-16(24)23(9-3-5-14-4-1-2-10-25-14)18(15)22-19(21-17)26-11-8-13-6-7-13/h13-14H,1-12H2,(H2,20,21,22).
What are the key properties of 4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-(2-cyclopropylethoxy)-7-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 360.46 g/mol, XLogP of 2.48, 8 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-[3-(oxan-2-yl)propyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58497567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).