N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

C17H22N6 — CID 56723291

IUPACN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCc1cc(C)n2ncc(CN(Cc3nccn3C)C3CC3)c2n1
InChIInChI=1S/C17H22N6/c1-12-8-13(2)23-17(20-12)14(9-19-23)10-22(15-4-5-15)11-16-18-6-7-21(16)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyVKJXGXWCRVIBPY-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.24
Rot. Bonds5

About N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 56723291) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
PubChem CID56723291
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCc1cc(C)n2ncc(CN(Cc3nccn3C)C3CC3)c2n1
InChIInChI=1S/C17H22N6/c1-12-8-13(2)23-17(20-12)14(9-19-23)10-22(15-4-5-15)11-16-18-6-7-21(16)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyVKJXGXWCRVIBPY-UHFFFAOYSA-N
XLogP2.24
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyrazin-2-yl)ethyl)-[1,2,4]triazolo-[1,5-a]pyrimidine
CID 72706927
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
US10399985, Example 26
CID 118288254
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
N-cyclopropyl-5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,1-dimethyl-1,2,4-triazol-3-amine
CID 72704705
3-methyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 75201524
Cyclopropyl-{5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-ethyl]-1-methyl-1H-[1,2,4]triazol-3-yl}-methyl-amine
CID 90017820
6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
5,6-Dimethyl-2-(1-methylimidazol-2-yl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 73945499
2,3-Dimethyl-5-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)pyrazolo[1,5-a]pyrimidine
CID 75201358
2-(1-{1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)ethanol trifluoroacetate (salt)
CID 31193171

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (CID 56723291) is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is Cc1cc(C)n2ncc(CN(Cc3nccn3C)C3CC3)c2n1.
What is the InChIKey of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is VKJXGXWCRVIBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-8-13(2)23-17(20-12)14(9-19-23)10-22(15-4-5-15)11-16-18-6-7-21(16)3/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 310.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 56723291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).