2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H12ClN5 — CID 166257730

IUPAC2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cn1
InChIInChI=1S/C13H12ClN5/c1-8-2-3-9(6-16-8)7-17-12-10-4-5-15-11(10)18-13(14)19-12/h2-6H,7H2,1H3,(H2,15,17,18,19)
InChIKeySAWSMRCSSMEABB-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166257730) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166257730
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cn1
InChIInChI=1S/C13H12ClN5/c1-8-2-3-9(6-16-8)7-17-12-10-4-5-15-11(10)18-13(14)19-12/h2-6H,7H2,1H3,(H2,15,17,18,19)
InChIKeySAWSMRCSSMEABB-UHFFFAOYSA-N
XLogP2.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166257730) is 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(CNc2nc(Cl)nc3[nH]ccc23)cn1.
What is the InChIKey of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SAWSMRCSSMEABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-8-2-3-9(6-16-8)7-17-12-10-4-5-15-11(10)18-13(14)19-12/h2-6H,7H2,1H3,(H2,15,17,18,19).
What are the key properties of 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 273.73 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166257730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).