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

C13H15N5O — CID 11266364

IUPAC2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C13H15N5O/c1-13(2)6-10-7(11(19)18-13)5-9(16-10)8-3-4-15-12(14)17-8/h3-5,16H,6H2,1-2H3,(H,18,19)(H2,14,15,17)
InChIKeyVMRFHULWSHKVIH-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.12
Rot. Bonds1

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

2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 11266364) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID11266364
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C13H15N5O/c1-13(2)6-10-7(11(19)18-13)5-9(16-10)8-3-4-15-12(14)17-8/h3-5,16H,6H2,1-2H3,(H,18,19)(H2,14,15,17)
InChIKeyVMRFHULWSHKVIH-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-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)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 11266364) is 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CC1(C)Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VMRFHULWSHKVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-13(2)6-10-7(11(19)18-13)5-9(16-10)8-3-4-15-12(14)17-8/h3-5,16H,6H2,1-2H3,(H,18,19)(H2,14,15,17).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 257.30 g/mol, XLogP of 1.12, 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)-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11266364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).