5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C16H21N7 — CID 95290133

IUPAC5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CN3CCC[C@H]3Cn3cncn3)nc2n1
InChIInChI=1S/C16H21N7/c1-12-6-13(2)23-8-14(20-16(23)19-12)7-21-5-3-4-15(21)9-22-11-17-10-18-22/h6,8,10-11,15H,3-5,7,9H2,1-2H3/t15-/m0/s1
InChIKeyCIMVOLMIEQNFMQ-HNNXBMFYSA-N
MW311.39 g/mol
LogP1.60
Rot. Bonds4

About 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 95290133) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID95290133
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CN3CCC[C@H]3Cn3cncn3)nc2n1
InChIInChI=1S/C16H21N7/c1-12-6-13(2)23-8-14(20-16(23)19-12)7-21-5-3-4-15(21)9-22-11-17-10-18-22/h6,8,10-11,15H,3-5,7,9H2,1-2H3/t15-/m0/s1
InChIKeyCIMVOLMIEQNFMQ-HNNXBMFYSA-N
XLogP1.60
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115312884
methyl 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62026541
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 23910306
3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95293109
9-methyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95609825
2-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56802658
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95750520
6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56780613
5-cyclopropyl-3-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95302421
5,7-dimethyl-2-[(2-pyridin-3-ylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 23909002
[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789047
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62545800

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 95290133) is 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CN3CCC[C@H]3Cn3cncn3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is CIMVOLMIEQNFMQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N7/c1-12-6-13(2)23-8-14(20-16(23)19-12)7-21-5-3-4-15(21)9-22-11-17-10-18-22/h6,8,10-11,15H,3-5,7,9H2,1-2H3/t15-/m0/s1.
What are the key properties of 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 311.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 95290133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).