4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine

C24H36BClN6O4 — CID 163546274

IUPAC4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine
SMILESNc1cc(C2CC2)cc(N2CCOCC2)n1.Nc1cc(Cl)cc(N2CCOCC2)n1.OB(O)C1CC1
InChIInChI=1S/C12H17N3O.C9H12ClN3O.C3H7BO2/c13-11-7-10(9-1-2-9)8-12(14-11)15-3-5-16-6-4-15;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;5-4(6)3-1-2-3/h7-9H,1-6H2,(H2,13,14);5-6H,1-4H2,(H2,11,12);3,5-6H,1-2H2
InChIKeyFFHCIFCGICCXSL-UHFFFAOYSA-N
MW518.86 g/mol
LogP2.15
Rot. Bonds4

About 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine

4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine (PubChem CID 163546274) has the molecular formula C24H36BClN6O4 and a molecular weight of 518.86 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine
PubChem CID163546274
Molecular FormulaC24H36BClN6O4
Molecular Weight518.86 g/mol
Exact Mass518.26
IUPAC Name4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine
SMILESNc1cc(C2CC2)cc(N2CCOCC2)n1.Nc1cc(Cl)cc(N2CCOCC2)n1.OB(O)C1CC1
InChIInChI=1S/C12H17N3O.C9H12ClN3O.C3H7BO2/c13-11-7-10(9-1-2-9)8-12(14-11)15-3-5-16-6-4-15;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;5-4(6)3-1-2-3/h7-9H,1-6H2,(H2,13,14);5-6H,1-4H2,(H2,11,12);3,5-6H,1-2H2
InChIKeyFFHCIFCGICCXSL-UHFFFAOYSA-N
XLogP2.15
TPSA143.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.86
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine (CID 163546274) is 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine is Nc1cc(C2CC2)cc(N2CCOCC2)n1.Nc1cc(Cl)cc(N2CCOCC2)n1.OB(O)C1CC1.
What is the InChIKey of 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine?
The InChIKey is FFHCIFCGICCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.C9H12ClN3O.C3H7BO2/c13-11-7-10(9-1-2-9)8-12(14-11)15-3-5-16-6-4-15;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;5-4(6)3-1-2-3/h7-9H,1-6H2,(H2,13,14);5-6H,1-4H2,(H2,11,12);3,5-6H,1-2H2.
What are the key properties of 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine?
4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine has a molecular weight of 518.86 g/mol, XLogP of 2.15, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 163546274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).