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

C23H32N8O — CID 68754778

IUPAC6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESCc1nc(CCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C23H32N8O/c1-16-19(8-7-18(26-16)9-10-31-11-13-32-14-12-31)28-23-29-21-20(24-15-25-21)22(30-23)27-17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H3,24,25,27,28,29,30)
InChIKeyBCUHKDPMGYHYPK-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.42
Rot. Bonds7

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

6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine (PubChem CID 68754778) has the molecular formula C23H32N8O and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine
PubChem CID68754778
Molecular FormulaC23H32N8O
Molecular Weight436.56 g/mol
Exact Mass436.27
IUPAC Name6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine
SMILESCc1nc(CCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C23H32N8O/c1-16-19(8-7-18(26-16)9-10-31-11-13-32-14-12-31)28-23-29-21-20(24-15-25-21)22(30-23)27-17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H3,24,25,27,28,29,30)
InChIKeyBCUHKDPMGYHYPK-UHFFFAOYSA-N
XLogP3.42
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

Reversine
CID 210332
Lanraplenib
CID 118161062
Ruserontinib
CID 54760385
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
N*6*-Cyclooctyl-N*2*-phenyl-9H-purine-2,6-diamine
CID 11484484
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
Mpi-0479605
CID 46909588

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine (CID 68754778) is 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine is Cc1nc(CCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
The InChIKey is BCUHKDPMGYHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O/c1-16-19(8-7-18(26-16)9-10-31-11-13-32-14-12-31)28-23-29-21-20(24-15-25-21)22(30-23)27-17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H3,24,25,27,28,29,30).
What are the key properties of 6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-[2-methyl-6-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine has a molecular weight of 436.56 g/mol, XLogP of 3.42, 7 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-(2-morpholin-4-ylethyl)-3-pyridinyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 68754778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).