2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine

C19H22N6 — CID 95826950

IUPAC2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cn1
InChIInChI=1S/C19H22N6/c1-14-21-11-16(12-22-14)13-24-9-4-6-18(24)17-5-3-7-19(23-17)25-10-8-20-15(25)2/h3,5,7-8,10-12,18H,4,6,9,13H2,1-2H3/t18-/m0/s1
InChIKeyRUUVNRMNGONUBH-SFHVURJKSA-N
MW334.43 g/mol
LogP3.01
Rot. Bonds4

About 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine

2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 95826950) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
PubChem CID95826950
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cn1
InChIInChI=1S/C19H22N6/c1-14-21-11-16(12-22-14)13-24-9-4-6-18(24)17-5-3-7-19(23-17)25-10-8-20-15(25)2/h3,5,7-8,10-12,18H,4,6,9,13H2,1-2H3/t18-/m0/s1
InChIKeyRUUVNRMNGONUBH-SFHVURJKSA-N
XLogP3.01
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815698
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(2-methylimidazol-1-yl)pyridine
CID 110253556
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyridine
CID 110268024
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839005
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815941
2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 175657108
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine (CID 95826950) is 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine is Cc1ncc(CN2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cn1.
What is the InChIKey of 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is RUUVNRMNGONUBH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-21-11-16(12-22-14)13-24-9-4-6-18(24)17-5-3-7-19(23-17)25-10-8-20-15(25)2/h3,5,7-8,10-12,18H,4,6,9,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine?
2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95826950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).