2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine

C13H21N5 — CID 115372835

IUPAC2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccn2nccc2n1
InChIInChI=1S/C13H21N5/c1-10(2)8-13(3,9-14)17-11-5-7-18-12(16-11)4-6-15-18/h4-7,10H,8-9,14H2,1-3H3,(H,16,17)
InChIKeyZRNMJGXSGUKMHT-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.90
Rot. Bonds5

About 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine

2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine (PubChem CID 115372835) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine
PubChem CID115372835
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccn2nccc2n1
InChIInChI=1S/C13H21N5/c1-10(2)8-13(3,9-14)17-11-5-7-18-12(16-11)4-6-15-18/h4-7,10H,8-9,14H2,1-3H3,(H,16,17)
InChIKeyZRNMJGXSGUKMHT-UHFFFAOYSA-N
XLogP1.90
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine?
The IUPAC name of 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine (CID 115372835) is 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine?
The canonical SMILES for 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1ccn2nccc2n1.
What is the InChIKey of 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine?
The InChIKey is ZRNMJGXSGUKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)8-13(3,9-14)17-11-5-7-18-12(16-11)4-6-15-18/h4-7,10H,8-9,14H2,1-3H3,(H,16,17).
What are the key properties of 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine?
2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-N-pyrazolo[1,5-a]pyrimidin-5-ylpentane-1,2-diamine is sourced from PubChem (CID 115372835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).