2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine

C12H18N4 — CID 131996410

IUPAC2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=CN2NC(C)C=C2N=C1N1CCCC1
InChIInChI=1S/C12H18N4/c1-9-8-16-11(7-10(2)14-16)13-12(9)15-5-3-4-6-15/h7-8,10,14H,3-6H2,1-2H3
InChIKeyPFWMIYSBZZIOAL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.45
Rot. Bonds

About 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine

2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 131996410) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID131996410
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=CN2NC(C)C=C2N=C1N1CCCC1
InChIInChI=1S/C12H18N4/c1-9-8-16-11(7-10(2)14-16)13-12(9)15-5-3-4-6-15/h7-8,10,14H,3-6H2,1-2H3
InChIKeyPFWMIYSBZZIOAL-UHFFFAOYSA-N
XLogP1.45
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine (CID 131996410) is 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine is CC1=CN2NC(C)C=C2N=C1N1CCCC1.
What is the InChIKey of 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PFWMIYSBZZIOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-8-16-11(7-10(2)14-16)13-12(9)15-5-3-4-6-15/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine?
2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 218.30 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 131996410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).