9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine

C23H29N7O — CID 117089738

IUPAC9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(NC2CC2)c2ncn(C3CCCCC3)c2n1
InChIInChI=1S/C23H29N7O/c1-2-4-18(5-3-1)30-15-25-20-22(26-17-7-8-17)27-21(28-23(20)30)16-6-9-19(24-14-16)29-10-12-31-13-11-29/h6,9,14-15,17-18H,1-5,7-8,10-13H2,(H,26,27,28)
InChIKeyYMKCVFURBOAJQB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.80
Rot. Bonds5

About 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine

9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine (PubChem CID 117089738) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
PubChem CID117089738
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(NC2CC2)c2ncn(C3CCCCC3)c2n1
InChIInChI=1S/C23H29N7O/c1-2-4-18(5-3-1)30-15-25-20-22(26-17-7-8-17)27-21(28-23(20)30)16-6-9-19(24-14-16)29-10-12-31-13-11-29/h6,9,14-15,17-18H,1-5,7-8,10-13H2,(H,26,27,28)
InChIKeyYMKCVFURBOAJQB-UHFFFAOYSA-N
XLogP3.80
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine with MolForge

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Related Compounds

9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(6-morpholin-4-yl-3-pyridinyl)purine-2,6-diamine
CID 142432629
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
CID 117085834
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-2-(4-methoxyphenyl)purin-6-amine
CID 117088891
2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
CID 117081487
N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117091182
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
CID 117082236
4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
CID 162511206
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
The IUPAC name of 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine (CID 117089738) is 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine.
What is the SMILES notation for 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
The canonical SMILES for 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine is c1cc(N2CCOCC2)ncc1-c1nc(NC2CC2)c2ncn(C3CCCCC3)c2n1.
What is the InChIKey of 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
The InChIKey is YMKCVFURBOAJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-2-4-18(5-3-1)30-15-25-20-22(26-17-7-8-17)27-21(28-23(20)30)16-6-9-19(24-14-16)29-10-12-31-13-11-29/h6,9,14-15,17-18H,1-5,7-8,10-13H2,(H,26,27,28).
What are the key properties of 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine has a molecular weight of 419.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine is sourced from PubChem (CID 117089738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).