N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine

C24H26ClN7O2 — CID 57381869

IUPACN-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine
SMILESCOc1c(C(C)Nc2ncnc3nc[nH]c23)cc(Cl)c(C)c1-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H26ClN7O2/c1-14-18(25)10-17(15(2)31-24-21-23(28-12-27-21)29-13-30-24)22(33-3)20(14)16-4-5-19(26-11-16)32-6-8-34-9-7-32/h4-5,10-13,15H,6-9H2,1-3H3,(H2,27,28,29,30,31)
InChIKeyCWNKLUIHNYILBA-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.40
Rot. Bonds6

About N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine

N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine (PubChem CID 57381869) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine
PubChem CID57381869
Molecular FormulaC24H26ClN7O2
Molecular Weight479.97 g/mol
Exact Mass479.18
IUPAC NameN-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine
SMILESCOc1c(C(C)Nc2ncnc3nc[nH]c23)cc(Cl)c(C)c1-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H26ClN7O2/c1-14-18(25)10-17(15(2)31-24-21-23(28-12-27-21)29-13-30-24)22(33-3)20(14)16-4-5-19(26-11-16)32-6-8-34-9-7-32/h4-5,10-13,15H,6-9H2,1-3H3,(H2,27,28,29,30,31)
InChIKeyCWNKLUIHNYILBA-UHFFFAOYSA-N
XLogP4.40
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine (CID 57381869) is N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine is COc1c(C(C)Nc2ncnc3nc[nH]c23)cc(Cl)c(C)c1-c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine?
The InChIKey is CWNKLUIHNYILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2/c1-14-18(25)10-17(15(2)31-24-21-23(28-12-27-21)29-13-30-24)22(33-3)20(14)16-4-5-19(26-11-16)32-6-8-34-9-7-32/h4-5,10-13,15H,6-9H2,1-3H3,(H2,27,28,29,30,31).
What are the key properties of N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine?
N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine has a molecular weight of 479.97 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-methoxy-4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 57381869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).