7-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C12H10N4 — CID 14728543

IUPAC7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2-c1ccccc1
InChIInChI=1S/C12H10N4/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H,(H2,13,14,15)
InChIKeyHSKDJAAEBMULSP-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.00
Rot. Bonds1

About 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 14728543) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID14728543
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2-c1ccccc1
InChIInChI=1S/C12H10N4/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H,(H2,13,14,15)
InChIKeyHSKDJAAEBMULSP-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 14728543) is 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1ccn2-c1ccccc1.
What is the InChIKey of 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HSKDJAAEBMULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H,(H2,13,14,15).
What are the key properties of 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 210.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 14728543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).