2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine

C21H19F2N7O — CID 10410037

IUPAC2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine
SMILESFc1cccc(Nc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(F)c4)nc3n2)c1
InChIInChI=1S/C21H19F2N7O/c22-13-3-1-5-15(11-13)24-20-26-17-18(27-20)28-21(25-16-6-2-4-14(23)12-16)29-19(17)30-7-9-31-10-8-30/h1-6,11-12H,7-10H2,(H3,24,25,26,27,28,29)
InChIKeyZKGFNXMQJCQBCG-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.95
Rot. Bonds5

About 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine

2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine (PubChem CID 10410037) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine
PubChem CID10410037
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC Name2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine
SMILESFc1cccc(Nc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(F)c4)nc3n2)c1
InChIInChI=1S/C21H19F2N7O/c22-13-3-1-5-15(11-13)24-20-26-17-18(27-20)28-21(25-16-6-2-4-14(23)12-16)29-19(17)30-7-9-31-10-8-30/h1-6,11-12H,7-10H2,(H3,24,25,26,27,28,29)
InChIKeyZKGFNXMQJCQBCG-UHFFFAOYSA-N
XLogP3.95
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine (CID 10410037) is 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine is Fc1cccc(Nc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(F)c4)nc3n2)c1.
What is the InChIKey of 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine?
The InChIKey is ZKGFNXMQJCQBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c22-13-3-1-5-15(11-13)24-20-26-17-18(27-20)28-21(25-16-6-2-4-14(23)12-16)29-19(17)30-7-9-31-10-8-30/h1-6,11-12H,7-10H2,(H3,24,25,26,27,28,29).
What are the key properties of 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine?
2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine has a molecular weight of 423.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine is sourced from PubChem (CID 10410037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).