N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine

C20H25N7O — CID 117091182

IUPACN-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NC3CC3)ncnc21
InChIInChI=1S/C20H25N7O/c1-13(2)27-19(14-3-6-16(21-11-14)26-7-9-28-10-8-26)25-17-18(24-15-4-5-15)22-12-23-20(17)27/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,22,23,24)
InChIKeySKIBSEKKUMYBTB-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.88
Rot. Bonds5

About N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine

N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine (PubChem CID 117091182) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
PubChem CID117091182
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NC3CC3)ncnc21
InChIInChI=1S/C20H25N7O/c1-13(2)27-19(14-3-6-16(21-11-14)26-7-9-28-10-8-26)25-17-18(24-15-4-5-15)22-12-23-20(17)27/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,22,23,24)
InChIKeySKIBSEKKUMYBTB-UHFFFAOYSA-N
XLogP2.88
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The IUPAC name of N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine (CID 117091182) is N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine is CC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NC3CC3)ncnc21.
What is the InChIKey of N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The InChIKey is SKIBSEKKUMYBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-13(2)27-19(14-3-6-16(21-11-14)26-7-9-28-10-8-26)25-17-18(24-15-4-5-15)22-12-23-20(17)27/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,22,23,24).
What are the key properties of N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine has a molecular weight of 379.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 117091182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).