(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine

C13H21N5 — CID 131996318

IUPAC(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine
SMILESCC1=CN2C(=C[C@@H](C)N2C)N=C1N1CC[C@H](N)C1
InChIInChI=1S/C13H21N5/c1-9-7-18-12(6-10(2)16(18)3)15-13(9)17-5-4-11(14)8-17/h6-7,10-11H,4-5,8,14H2,1-3H3/t10-,11+/m1/s1
InChIKeyHONYCBKRARNTCC-MNOVXSKESA-N
MW247.35 g/mol
LogP0.73
Rot. Bonds

About (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine

(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine (PubChem CID 131996318) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine
PubChem CID131996318
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine
SMILESCC1=CN2C(=C[C@@H](C)N2C)N=C1N1CC[C@H](N)C1
InChIInChI=1S/C13H21N5/c1-9-7-18-12(6-10(2)16(18)3)15-13(9)17-5-4-11(14)8-17/h6-7,10-11H,4-5,8,14H2,1-3H3/t10-,11+/m1/s1
InChIKeyHONYCBKRARNTCC-MNOVXSKESA-N
XLogP0.73
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine (CID 131996318) is (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine is CC1=CN2C(=C[C@@H](C)N2C)N=C1N1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine?
The InChIKey is HONYCBKRARNTCC-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21N5/c1-9-7-18-12(6-10(2)16(18)3)15-13(9)17-5-4-11(14)8-17/h6-7,10-11H,4-5,8,14H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine?
(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine has a molecular weight of 247.35 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine is sourced from PubChem (CID 131996318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).