3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine

C12H17N5 — CID 117103401

IUPAC3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine
SMILESCN1CCC(Cc2cnn3cc(N)cnc23)C1
InChIInChI=1S/C12H17N5/c1-16-3-2-9(7-16)4-10-5-15-17-8-11(13)6-14-12(10)17/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyUQBGXBIMWIDLFB-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.81
Rot. Bonds2

About 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine

3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 117103401) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID117103401
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine
SMILESCN1CCC(Cc2cnn3cc(N)cnc23)C1
InChIInChI=1S/C12H17N5/c1-16-3-2-9(7-16)4-10-5-15-17-8-11(13)6-14-12(10)17/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyUQBGXBIMWIDLFB-UHFFFAOYSA-N
XLogP0.81
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine (CID 117103401) is 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine is CN1CCC(Cc2cnn3cc(N)cnc23)C1.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is UQBGXBIMWIDLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-3-2-9(7-16)4-10-5-15-17-8-11(13)6-14-12(10)17/h5-6,8-9H,2-4,7,13H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 117103401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).