N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine

C23H24N6 — CID 23646636

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccn(-c5ccccc5)c4n3)c2)CC1
InChIInChI=1S/C23H24N6/c1-27-12-14-28(15-13-27)21-9-5-6-19(16-21)25-23-24-17-18-10-11-29(22(18)26-23)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
InChIKeyLGRFDXOUFHUOCK-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.92
Rot. Bonds4

About N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine

N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 23646636) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID23646636
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccn(-c5ccccc5)c4n3)c2)CC1
InChIInChI=1S/C23H24N6/c1-27-12-14-28(15-13-27)21-9-5-6-19(16-21)25-23-24-17-18-10-11-29(22(18)26-23)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26)
InChIKeyLGRFDXOUFHUOCK-UHFFFAOYSA-N
XLogP3.92
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine (CID 23646636) is N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine is CN1CCN(c2cccc(Nc3ncc4ccn(-c5ccccc5)c4n3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is LGRFDXOUFHUOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-27-12-14-28(15-13-27)21-9-5-6-19(16-21)25-23-24-17-18-10-11-29(22(18)26-23)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3,(H,24,25,26).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 384.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 23646636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).