2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine

C17H17Cl2N5 — CID 154076062

IUPAC2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine
SMILESCC(Nc1nc(Cl)nc2ncn(Cc3ccc(Cl)cc3)c12)C1CC1
InChIInChI=1S/C17H17Cl2N5/c1-10(12-4-5-12)21-16-14-15(22-17(19)23-16)20-9-24(14)8-11-2-6-13(18)7-3-11/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,21,22,23)
InChIKeyLBILUDNRLUPKQG-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.39
Rot. Bonds5

About 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine

2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine (PubChem CID 154076062) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine
PubChem CID154076062
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine
SMILESCC(Nc1nc(Cl)nc2ncn(Cc3ccc(Cl)cc3)c12)C1CC1
InChIInChI=1S/C17H17Cl2N5/c1-10(12-4-5-12)21-16-14-15(22-17(19)23-16)20-9-24(14)8-11-2-6-13(18)7-3-11/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,21,22,23)
InChIKeyLBILUDNRLUPKQG-UHFFFAOYSA-N
XLogP4.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine?
The IUPAC name of 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine (CID 154076062) is 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine.
What is the SMILES notation for 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine?
The canonical SMILES for 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine is CC(Nc1nc(Cl)nc2ncn(Cc3ccc(Cl)cc3)c12)C1CC1.
What is the InChIKey of 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine?
The InChIKey is LBILUDNRLUPKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c1-10(12-4-5-12)21-16-14-15(22-17(19)23-16)20-9-24(14)8-11-2-6-13(18)7-3-11/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H,21,22,23).
What are the key properties of 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine?
2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine has a molecular weight of 362.26 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine is sourced from PubChem (CID 154076062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).