2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H25N5 — CID 82270918

IUPAC2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(C(C)(C)C)nn2c(NC2CCNC2)c1C
InChIInChI=1S/C16H25N5/c1-10-11(2)18-14-8-13(16(3,4)5)20-21(14)15(10)19-12-6-7-17-9-12/h8,12,17,19H,6-7,9H2,1-5H3
InChIKeyZMNJYTOECHJJIP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.42
Rot. Bonds2

About 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 82270918) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID82270918
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(C(C)(C)C)nn2c(NC2CCNC2)c1C
InChIInChI=1S/C16H25N5/c1-10-11(2)18-14-8-13(16(3,4)5)20-21(14)15(10)19-12-6-7-17-9-12/h8,12,17,19H,6-7,9H2,1-5H3
InChIKeyZMNJYTOECHJJIP-UHFFFAOYSA-N
XLogP2.42
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 82270894
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82191941
2-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridin-3-amine
CID 175911772
3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine
CID 67444947
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818883
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732568
1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
CID 62381165
N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 118870771
2-ethyl-5-propyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 82270912

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 82270918) is 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2cc(C(C)(C)C)nn2c(NC2CCNC2)c1C.
What is the InChIKey of 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZMNJYTOECHJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10-11(2)18-14-8-13(16(3,4)5)20-21(14)15(10)19-12-6-7-17-9-12/h8,12,17,19H,6-7,9H2,1-5H3.
What are the key properties of 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dimethyl-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 82270918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).