4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine

C11H8ClN5 — CID 71580828

IUPAC4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3cnc(Cl)cc32)n1
InChIInChI=1S/C11H8ClN5/c12-9-5-8-7(6-15-9)2-4-17(8)10-1-3-14-11(13)16-10/h1-6H,(H2,13,14,16)
InChIKeyCDSZKWUUDLFLDE-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.05
Rot. Bonds1

About 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine

4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine (PubChem CID 71580828) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
PubChem CID71580828
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3cnc(Cl)cc32)n1
InChIInChI=1S/C11H8ClN5/c12-9-5-8-7(6-15-9)2-4-17(8)10-1-3-14-11(13)16-10/h1-6H,(H2,13,14,16)
InChIKeyCDSZKWUUDLFLDE-UHFFFAOYSA-N
XLogP2.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine (CID 71580828) is 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine is Nc1nccc(-n2ccc3cnc(Cl)cc32)n1.
What is the InChIKey of 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The InChIKey is CDSZKWUUDLFLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-9-5-8-7(6-15-9)2-4-17(8)10-1-3-14-11(13)16-10/h1-6H,(H2,13,14,16).
What are the key properties of 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine has a molecular weight of 245.67 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 71580828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).