2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H16N6O2 — CID 166829280

IUPAC2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)nn2ccc(NCC3CNCCO3)nc12
InChIInChI=1S/C16H16N6O2/c17-8-12-15(13-2-1-6-24-13)21-22-5-3-14(20-16(12)22)19-10-11-9-18-4-7-23-11/h1-3,5-6,11,18H,4,7,9-10H2,(H,19,20)
InChIKeyXEDPSLWZKQBRKP-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.26
Rot. Bonds4

About 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 166829280) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID166829280
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)nn2ccc(NCC3CNCCO3)nc12
InChIInChI=1S/C16H16N6O2/c17-8-12-15(13-2-1-6-24-13)21-22-5-3-14(20-16(12)22)19-10-11-9-18-4-7-23-11/h1-3,5-6,11,18H,4,7,9-10H2,(H,19,20)
InChIKeyXEDPSLWZKQBRKP-UHFFFAOYSA-N
XLogP1.26
TPSA100.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 166829280) is 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(-c2ccco2)nn2ccc(NCC3CNCCO3)nc12.
What is the InChIKey of 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is XEDPSLWZKQBRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c17-8-12-15(13-2-1-6-24-13)21-22-5-3-14(20-16(12)22)19-10-11-9-18-4-7-23-11/h1-3,5-6,11,18H,4,7,9-10H2,(H,19,20).
What are the key properties of 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 324.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 166829280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).