N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H27N5 — CID 56889089

IUPACN,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(N(C)CC3CCCN3C)n2n1
InChIInChI=1S/C17H27N5/c1-12(2)15-10-17(22-16(18-15)9-13(3)19-22)21(5)11-14-7-6-8-20(14)4/h9-10,12,14H,6-8,11H2,1-5H3
InChIKeyVMZIKPFLMSXUMH-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.69
Rot. Bonds4

About N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56889089) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56889089
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC NameN,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(N(C)CC3CCCN3C)n2n1
InChIInChI=1S/C17H27N5/c1-12(2)15-10-17(22-16(18-15)9-13(3)19-22)21(5)11-14-7-6-8-20(14)4/h9-10,12,14H,6-8,11H2,1-5H3
InChIKeyVMZIKPFLMSXUMH-UHFFFAOYSA-N
XLogP2.69
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56889089) is N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(N(C)CC3CCCN3C)n2n1.
What is the InChIKey of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VMZIKPFLMSXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-12(2)15-10-17(22-16(18-15)9-13(3)19-22)21(5)11-14-7-6-8-20(14)4/h9-10,12,14H,6-8,11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56889089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).