2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane

C18H17ClN6 — CID 142948412

IUPAC2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane
SMILESCC.Clc1cccc(-c2nc(Nc3ccncc3)c3[nH]cnc3n2)c1
InChIInChI=1S/C16H11ClN6.C2H6/c17-11-3-1-2-10(8-11)14-22-15-13(19-9-20-15)16(23-14)21-12-4-6-18-7-5-12;1-2/h1-9H,(H2,18,19,20,21,22,23);1-2H3
InChIKeyTXHWVCGAXLFNAX-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.84
Rot. Bonds3

About 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane

2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane (PubChem CID 142948412) has the molecular formula C18H17ClN6 and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane
PubChem CID142948412
Molecular FormulaC18H17ClN6
Molecular Weight352.83 g/mol
Exact Mass352.12
IUPAC Name2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane
SMILESCC.Clc1cccc(-c2nc(Nc3ccncc3)c3[nH]cnc3n2)c1
InChIInChI=1S/C16H11ClN6.C2H6/c17-11-3-1-2-10(8-11)14-22-15-13(19-9-20-15)16(23-14)21-12-4-6-18-7-5-12;1-2/h1-9H,(H2,18,19,20,21,22,23);1-2H3
InChIKeyTXHWVCGAXLFNAX-UHFFFAOYSA-N
XLogP4.84
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane?
The IUPAC name of 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane (CID 142948412) is 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane.
What is the SMILES notation for 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane?
The canonical SMILES for 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane is CC.Clc1cccc(-c2nc(Nc3ccncc3)c3[nH]cnc3n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane?
The InChIKey is TXHWVCGAXLFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6.C2H6/c17-11-3-1-2-10(8-11)14-22-15-13(19-9-20-15)16(23-14)21-12-4-6-18-7-5-12;1-2/h1-9H,(H2,18,19,20,21,22,23);1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane?
2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane has a molecular weight of 352.83 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane is sourced from PubChem (CID 142948412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).