7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride

C6H8Cl2N4 — CID 22736352

IUPAC7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.Nc1ncnc2[nH]ccc12
InChIInChI=1S/C6H6N4.2ClH/c7-5-4-1-2-8-6(4)10-3-9-5;;/h1-3H,(H3,7,8,9,10);2*1H
InChIKeyJTLMAHWVRSTRNJ-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.38
Rot. Bonds

About 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride

7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 22736352) has the molecular formula C6H8Cl2N4 and a molecular weight of 207.06 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
PubChem CID22736352
Molecular FormulaC6H8Cl2N4
Molecular Weight207.06 g/mol
Exact Mass206.01
IUPAC Name7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.Nc1ncnc2[nH]ccc12
InChIInChI=1S/C6H6N4.2ClH/c7-5-4-1-2-8-6(4)10-3-9-5;;/h1-3H,(H3,7,8,9,10);2*1H
InChIKeyJTLMAHWVRSTRNJ-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride 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 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride (CID 22736352) is 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride is Cl.Cl.Nc1ncnc2[nH]ccc12.
What is the InChIKey of 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is JTLMAHWVRSTRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.2ClH/c7-5-4-1-2-8-6(4)10-3-9-5;;/h1-3H,(H3,7,8,9,10);2*1H.
What are the key properties of 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 207.06 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 22736352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).