4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C6H4Cl2N4 — CID 11506669

IUPAC4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(Cl)c[nH]c2n1
InChIInChI=1S/C6H4Cl2N4/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H3,9,10,11,12)
InChIKeyPCVVGPYKRWHBKE-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.85
Rot. Bonds

About 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11506669) has the molecular formula C6H4Cl2N4 and a molecular weight of 203.03 g/mol. Its IUPAC name is 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11506669
Molecular FormulaC6H4Cl2N4
Molecular Weight203.03 g/mol
Exact Mass201.98
IUPAC Name4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(Cl)c[nH]c2n1
InChIInChI=1S/C6H4Cl2N4/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H3,9,10,11,12)
InChIKeyPCVVGPYKRWHBKE-UHFFFAOYSA-N
XLogP1.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 11506669) is 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(Cl)c2c(Cl)c[nH]c2n1.
What is the InChIKey of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is PCVVGPYKRWHBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H3,9,10,11,12).
What are the key properties of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 203.03 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11506669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).