6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine

C21H28N8O — CID 46926825

IUPAC6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine
SMILESCc1nc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C21H28N8O/c1-14-16(7-8-17(24-14)29-9-11-30-12-10-29)26-21-27-19-18(22-13-23-19)20(28-21)25-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H3,22,23,25,26,27,28)
InChIKeyLWBXSZAJQWVUQX-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.38
Rot. Bonds5

About 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine (PubChem CID 46926825) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine
PubChem CID46926825
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine
SMILESCc1nc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C21H28N8O/c1-14-16(7-8-17(24-14)29-9-11-30-12-10-29)26-21-27-19-18(22-13-23-19)20(28-21)25-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H3,22,23,25,26,27,28)
InChIKeyLWBXSZAJQWVUQX-UHFFFAOYSA-N
XLogP3.38
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine with MolForge

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Related Compounds

Reversine
CID 210332
Vs-5584
CID 46912230
Lanraplenib
CID 118161062
Ruserontinib
CID 54760385
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
Flt3-IN-3
CID 133081975
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
N*6*-Cyclohexyl-N*2*-phenyl-9H-purine-2,6-diamine
CID 11243768
N2-trans-(4-Amino-cyclohexyl)-N6-(4-morpholin-4-ylmethyl-phenyl)-9-phenyl-9H-purine-2,6-diamine
CID 24762173
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine (CID 46926825) is 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine is Cc1nc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine?
The InChIKey is LWBXSZAJQWVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-14-16(7-8-17(24-14)29-9-11-30-12-10-29)26-21-27-19-18(22-13-23-19)20(28-21)25-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H3,22,23,25,26,27,28).
What are the key properties of 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine has a molecular weight of 408.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 46926825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).