2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C11H11N5O — CID 11300082

IUPAC2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)
InChIKeyFMVMPEYKBFJPAD-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.34
Rot. Bonds1

About 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11300082) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11300082
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)
InChIKeyFMVMPEYKBFJPAD-UHFFFAOYSA-N
XLogP0.34
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.34
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)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11300082) is 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FMVMPEYKBFJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 229.24 g/mol, XLogP of 0.34, 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)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11300082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).