N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine

C17H21N5 — CID 56720902

IUPACN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cc(C)n2ncc(CN(C)Cc3ccncc3C)c2n1
InChIInChI=1S/C17H21N5/c1-12-8-18-6-5-15(12)10-21(4)11-16-9-19-22-14(3)7-13(2)20-17(16)22/h5-9H,10-11H2,1-4H3
InChIKeyZEPUFJXBQWANJZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.68
Rot. Bonds4

About N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine

N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 56720902) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID56720902
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cc(C)n2ncc(CN(C)Cc3ccncc3C)c2n1
InChIInChI=1S/C17H21N5/c1-12-8-18-6-5-15(12)10-21(4)11-16-9-19-22-14(3)7-13(2)20-17(16)22/h5-9H,10-11H2,1-4H3
InChIKeyZEPUFJXBQWANJZ-UHFFFAOYSA-N
XLogP2.68
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine with MolForge

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Related Compounds

(2R)-N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-pyridin-2-ylpropan-2-amine
CID 95119763
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 77087376
2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 141189662
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 131908924
3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 15285472
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine
CID 56719244
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
[1-methyl-5-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]pyrazol-4-yl]methanamine;2,2,2-trifluoroacetic acid
CID 155956103
3-ethyl-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 145164018
4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one
CID 56718124

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine (CID 56720902) is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine is Cc1cc(C)n2ncc(CN(C)Cc3ccncc3C)c2n1.
What is the InChIKey of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is ZEPUFJXBQWANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-8-18-6-5-15(12)10-21(4)11-16-9-19-22-14(3)7-13(2)20-17(16)22/h5-9H,10-11H2,1-4H3.
What are the key properties of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine?
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 295.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 56720902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).