4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C14H20N4O — CID 24987694

IUPAC4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC1CCCCN1c1ncnc2c1CC(=O)N2C
InChIInChI=1S/C14H20N4O/c1-3-10-6-4-5-7-18(10)14-11-8-12(19)17(2)13(11)15-9-16-14/h9-10H,3-8H2,1-2H3
InChIKeyUTJYRLCBLAPWEW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds2

About 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 24987694) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID24987694
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC1CCCCN1c1ncnc2c1CC(=O)N2C
InChIInChI=1S/C14H20N4O/c1-3-10-6-4-5-7-18(10)14-11-8-12(19)17(2)13(11)15-9-16-14/h9-10H,3-8H2,1-2H3
InChIKeyUTJYRLCBLAPWEW-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 24987694) is 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCC1CCCCN1c1ncnc2c1CC(=O)N2C.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is UTJYRLCBLAPWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-10-6-4-5-7-18(10)14-11-8-12(19)17(2)13(11)15-9-16-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 260.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 24987694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).