2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

C13H18N4 — CID 95895380

IUPAC2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC[C@@H]2C)n2nc(C)cc2n1
InChIInChI=1S/C13H18N4/c1-9-8-13(16-6-4-5-11(16)3)17-12(14-9)7-10(2)15-17/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyLVZRBLXDLMGZNI-NSHDSACASA-N
MW230.31 g/mol
LogP2.33
Rot. Bonds1

About 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 95895380) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID95895380
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC[C@@H]2C)n2nc(C)cc2n1
InChIInChI=1S/C13H18N4/c1-9-8-13(16-6-4-5-11(16)3)17-12(14-9)7-10(2)15-17/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyLVZRBLXDLMGZNI-NSHDSACASA-N
XLogP2.33
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
7-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 146491583
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926660
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
CID 114767295
2,5-dimethyl-7-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 126947537
[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165432476
3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one
CID 130654869
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440817

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 95895380) is 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC[C@@H]2C)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is LVZRBLXDLMGZNI-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4/c1-9-8-13(16-6-4-5-11(16)3)17-12(14-9)7-10(2)15-17/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 230.31 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95895380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).