5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine

C14H19N5 — CID 133403923

IUPAC5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCCC2Cn2ccnc2C)nc1
InChIInChI=1S/C14H19N5/c1-11-8-16-14(17-9-11)19-6-3-4-13(19)10-18-7-5-15-12(18)2/h5,7-9,13H,3-4,6,10H2,1-2H3
InChIKeyXWBLVTAZZWQQLW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds3

About 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine

5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 133403923) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
PubChem CID133403923
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCCC2Cn2ccnc2C)nc1
InChIInChI=1S/C14H19N5/c1-11-8-16-14(17-9-11)19-6-3-4-13(19)10-18-7-5-15-12(18)2/h5,7-9,13H,3-4,6,10H2,1-2H3
InChIKeyXWBLVTAZZWQQLW-UHFFFAOYSA-N
XLogP1.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 100691756
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol
CID 100692453
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119897783
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine (CID 133403923) is 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine is Cc1cnc(N2CCCC2Cn2ccnc2C)nc1.
What is the InChIKey of 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is XWBLVTAZZWQQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-8-16-14(17-9-11)19-6-3-4-13(19)10-18-7-5-15-12(18)2/h5,7-9,13H,3-4,6,10H2,1-2H3.
What are the key properties of 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 257.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 133403923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).