3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C11H15FN6 — CID 145499685

IUPAC3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(NCC2CCCN2)nc2c(F)cnn12
InChIInChI=1S/C11H15FN6/c12-8-6-16-18-9(13)4-10(17-11(8)18)15-5-7-2-1-3-14-7/h4,6-7,14H,1-3,5,13H2,(H,15,17)
InChIKeyVWOBGRRAIZHWAS-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.61
Rot. Bonds3

About 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 145499685) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID145499685
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1cc(NCC2CCCN2)nc2c(F)cnn12
InChIInChI=1S/C11H15FN6/c12-8-6-16-18-9(13)4-10(17-11(8)18)15-5-7-2-1-3-14-7/h4,6-7,14H,1-3,5,13H2,(H,15,17)
InChIKeyVWOBGRRAIZHWAS-UHFFFAOYSA-N
XLogP0.61
TPSA80.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 145499685) is 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is Nc1cc(NCC2CCCN2)nc2c(F)cnn12.
What is the InChIKey of 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is VWOBGRRAIZHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c12-8-6-16-18-9(13)4-10(17-11(8)18)15-5-7-2-1-3-14-7/h4,6-7,14H,1-3,5,13H2,(H,15,17).
What are the key properties of 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 250.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 145499685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).