2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C15H19N5O — CID 11500189

IUPAC2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC1(CC)CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C15H19N5O/c1-3-15(4-2)8-18-13(21)9-7-11(19-12(9)15)10-5-6-17-14(16)20-10/h5-7,19H,3-4,8H2,1-2H3,(H,18,21)(H2,16,17,20)
InChIKeyFOTRQUZIJMKFFQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.86
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 11500189) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID11500189
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC1(CC)CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C15H19N5O/c1-3-15(4-2)8-18-13(21)9-7-11(19-12(9)15)10-5-6-17-14(16)20-10/h5-7,19H,3-4,8H2,1-2H3,(H,18,21)(H2,16,17,20)
InChIKeyFOTRQUZIJMKFFQ-UHFFFAOYSA-N
XLogP1.86
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 11500189) is 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CCC1(CC)CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FOTRQUZIJMKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-15(4-2)8-18-13(21)9-7-11(19-12(9)15)10-5-6-17-14(16)20-10/h5-7,19H,3-4,8H2,1-2H3,(H,18,21)(H2,16,17,20).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-7,7-diethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11500189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).