2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine

C15H21ClN6O — CID 87725250

IUPAC2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
SMILESClc1nc(NC2CCC(N3CCOCC3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H21ClN6O/c16-15-20-13-12(17-9-18-13)14(21-15)19-10-1-3-11(4-2-10)22-5-7-23-8-6-22/h9-11H,1-8H2,(H2,17,18,19,20,21)
InChIKeyIHZBXULWLFDUOB-UHFFFAOYSA-N
MW336.83 g/mol
LogP2.06
Rot. Bonds3

About 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine

2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine (PubChem CID 87725250) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
PubChem CID87725250
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
SMILESClc1nc(NC2CCC(N3CCOCC3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H21ClN6O/c16-15-20-13-12(17-9-18-13)14(21-15)19-10-1-3-11(4-2-10)22-5-7-23-8-6-22/h9-11H,1-8H2,(H2,17,18,19,20,21)
InChIKeyIHZBXULWLFDUOB-UHFFFAOYSA-N
XLogP2.06
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine (CID 87725250) is 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine is Clc1nc(NC2CCC(N3CCOCC3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine?
The InChIKey is IHZBXULWLFDUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O/c16-15-20-13-12(17-9-18-13)14(21-15)19-10-1-3-11(4-2-10)22-5-7-23-8-6-22/h9-11H,1-8H2,(H2,17,18,19,20,21).
What are the key properties of 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine?
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine has a molecular weight of 336.83 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine is sourced from PubChem (CID 87725250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).