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

C12H8Cl2N4 — CID 134149549

IUPAC4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2cc(-c3cccc(Cl)c3)[nH]c2n1
InChIInChI=1S/C12H8Cl2N4/c13-7-3-1-2-6(4-7)9-5-8-10(14)17-12(15)18-11(8)16-9/h1-5H,(H3,15,16,17,18)
InChIKeyBCCIWVQZLYVZNI-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.51
Rot. Bonds1

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

4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 134149549) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID134149549
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2cc(-c3cccc(Cl)c3)[nH]c2n1
InChIInChI=1S/C12H8Cl2N4/c13-7-3-1-2-6(4-7)9-5-8-10(14)17-12(15)18-11(8)16-9/h1-5H,(H3,15,16,17,18)
InChIKeyBCCIWVQZLYVZNI-UHFFFAOYSA-N
XLogP3.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 134149549) is 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(Cl)c2cc(-c3cccc(Cl)c3)[nH]c2n1.
What is the InChIKey of 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BCCIWVQZLYVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-7-3-1-2-6(4-7)9-5-8-10(14)17-12(15)18-11(8)16-9/h1-5H,(H3,15,16,17,18).
What are the key properties of 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 279.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 134149549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).