N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine

C24H32N6O — CID 6605219

IUPACN-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine
SMILESCc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN3CCOCC3)c2n1
InChIInChI=1S/C24H32N6O/c1-18-25-22(27-20-10-6-3-7-11-20)21-24(26-18)30(13-12-29-14-16-31-17-15-29)23(28-21)19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3,(H,25,26,27)
InChIKeyRSFZUSLTIPPFOE-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.88
Rot. Bonds6

About N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine

N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine (PubChem CID 6605219) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine
PubChem CID6605219
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine
SMILESCc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN3CCOCC3)c2n1
InChIInChI=1S/C24H32N6O/c1-18-25-22(27-20-10-6-3-7-11-20)21-24(26-18)30(13-12-29-14-16-31-17-15-29)23(28-21)19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3,(H,25,26,27)
InChIKeyRSFZUSLTIPPFOE-UHFFFAOYSA-N
XLogP3.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine
CID 6605088
2-methyl-9-[(1-methylpiperidin-4-yl)methyl]-N,8-diphenylpurin-6-amine
CID 6605218
N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
CID 21004205
6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine
CID 71428128
N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine
CID 22695472
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157
2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 167774541
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
5-N-cycloheptyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945300

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine?
The IUPAC name of N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine (CID 6605219) is N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine.
What is the SMILES notation for N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine?
The canonical SMILES for N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine is Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN3CCOCC3)c2n1.
What is the InChIKey of N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine?
The InChIKey is RSFZUSLTIPPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-18-25-22(27-20-10-6-3-7-11-20)21-24(26-18)30(13-12-29-14-16-31-17-15-29)23(28-21)19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3,(H,25,26,27).
What are the key properties of N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine?
N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine has a molecular weight of 420.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-9-(2-morpholin-4-ylethyl)-8-phenylpurin-6-amine is sourced from PubChem (CID 6605219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).