4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine

C18H19N5O — CID 118930311

IUPAC4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(-n2ncc3ccc(C4CC4)cc32)n1
InChIInChI=1S/C18H19N5O/c1-2-13(1)14-3-4-15-11-21-23(16(15)9-14)18-10-17(19-12-20-18)22-5-7-24-8-6-22/h3-4,9-13H,1-2,5-8H2
InChIKeyDFGKEJUBMHTLBP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.53
Rot. Bonds3

About 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine

4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 118930311) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine
PubChem CID118930311
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(-n2ncc3ccc(C4CC4)cc32)n1
InChIInChI=1S/C18H19N5O/c1-2-13(1)14-3-4-15-11-21-23(16(15)9-14)18-10-17(19-12-20-18)22-5-7-24-8-6-22/h3-4,9-13H,1-2,5-8H2
InChIKeyDFGKEJUBMHTLBP-UHFFFAOYSA-N
XLogP2.53
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine (CID 118930311) is 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine is c1nc(N2CCOCC2)cc(-n2ncc3ccc(C4CC4)cc32)n1.
What is the InChIKey of 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is DFGKEJUBMHTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-13(1)14-3-4-15-11-21-23(16(15)9-14)18-10-17(19-12-20-18)22-5-7-24-8-6-22/h3-4,9-13H,1-2,5-8H2.
What are the key properties of 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine?
4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 321.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-cyclopropylindazol-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118930311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).