2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C15H19N5O — CID 123644512

IUPAC2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cnc(NC)nc1-c1cc2c(n1C)CCNC2=O
InChIInChI=1S/C15H19N5O/c1-4-9-8-18-15(16-2)19-13(9)12-7-10-11(20(12)3)5-6-17-14(10)21/h7-8H,4-6H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyLSSNACUTHWKIJW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.37
Rot. Bonds3

About 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 123644512) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID123644512
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cnc(NC)nc1-c1cc2c(n1C)CCNC2=O
InChIInChI=1S/C15H19N5O/c1-4-9-8-18-15(16-2)19-13(9)12-7-10-11(20(12)3)5-6-17-14(10)21/h7-8H,4-6H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyLSSNACUTHWKIJW-UHFFFAOYSA-N
XLogP1.37
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 123644512) is 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CCc1cnc(NC)nc1-c1cc2c(n1C)CCNC2=O.
What is the InChIKey of 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LSSNACUTHWKIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-4-9-8-18-15(16-2)19-13(9)12-7-10-11(20(12)3)5-6-17-14(10)21/h7-8H,4-6H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-(methylamino)pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 123644512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).