4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine

C15H15N5O — CID 90398640

IUPAC4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine
SMILESc1ccc2c(-c3cc(N4CCOCC4)ncn3)n[nH]c2c1
InChIInChI=1S/C15H15N5O/c1-2-4-12-11(3-1)15(19-18-12)13-9-14(17-10-16-13)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyNLLSDVOBCQOASK-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.86
Rot. Bonds2

About 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine

4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine (PubChem CID 90398640) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine
PubChem CID90398640
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine
SMILESc1ccc2c(-c3cc(N4CCOCC4)ncn3)n[nH]c2c1
InChIInChI=1S/C15H15N5O/c1-2-4-12-11(3-1)15(19-18-12)13-9-14(17-10-16-13)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyNLLSDVOBCQOASK-UHFFFAOYSA-N
XLogP1.86
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine (CID 90398640) is 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine is c1ccc2c(-c3cc(N4CCOCC4)ncn3)n[nH]c2c1.
What is the InChIKey of 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The InChIKey is NLLSDVOBCQOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-4-12-11(3-1)15(19-18-12)13-9-14(17-10-16-13)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,18,19).
What are the key properties of 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine has a molecular weight of 281.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indazol-3-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90398640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).