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

C13H15N5O — CID 11207612

IUPAC2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C13H15N5O/c1-13(2)6-16-11(19)7-5-9(17-10(7)13)8-3-4-15-12(14)18-8/h3-5,17H,6H2,1-2H3,(H,16,19)(H2,14,15,18)
InChIKeyLTNHVGDEZLCNPS-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.07
Rot. Bonds1

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

2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 11207612) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID11207612
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C13H15N5O/c1-13(2)6-16-11(19)7-5-9(17-10(7)13)8-3-4-15-12(14)18-8/h3-5,17H,6H2,1-2H3,(H,16,19)(H2,14,15,18)
InChIKeyLTNHVGDEZLCNPS-UHFFFAOYSA-N
XLogP1.07
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 11207612) is 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CC1(C)CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LTNHVGDEZLCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-13(2)6-16-11(19)7-5-9(17-10(7)13)8-3-4-15-12(14)18-8/h3-5,17H,6H2,1-2H3,(H,16,19)(H2,14,15,18).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 257.30 g/mol, XLogP of 1.07, 1 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-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11207612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).