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

C11H12ClN5O — CID 11300081

IUPAC2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C11H11N5O.ClH/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);1H
InChIKeyNVTRKLMPYASMAB-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.76
Rot. Bonds1

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

2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (PubChem CID 11300081) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
PubChem CID11300081
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C11H11N5O.ClH/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);1H
InChIKeyNVTRKLMPYASMAB-UHFFFAOYSA-N
XLogP0.76
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.76
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;hydrochloride?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (CID 11300081) is 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is NVTRKLMPYASMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O.ClH/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);1H.
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
2-(2-aminopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of 0.76, 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;hydrochloride is sourced from PubChem (CID 11300081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).