2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine

C16H16N6 — CID 110267895

IUPAC2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
SMILESc1cnc(N2CCCC2c2cccc(-n3ccnc3)n2)nc1
InChIInChI=1S/C16H16N6/c1-4-13(20-15(6-1)21-11-9-17-12-21)14-5-2-10-22(14)16-18-7-3-8-19-16/h1,3-4,6-9,11-12,14H,2,5,10H2
InChIKeyBMVJEZQBZHNFHL-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.40
Rot. Bonds3

About 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine

2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 110267895) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
PubChem CID110267895
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
SMILESc1cnc(N2CCCC2c2cccc(-n3ccnc3)n2)nc1
InChIInChI=1S/C16H16N6/c1-4-13(20-15(6-1)21-11-9-17-12-21)14-5-2-10-22(14)16-18-7-3-8-19-16/h1,3-4,6-9,11-12,14H,2,5,10H2
InChIKeyBMVJEZQBZHNFHL-UHFFFAOYSA-N
XLogP2.40
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
2-[(2S)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95838700
2-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815752
2-imidazol-1-yl-6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 110258092
2-imidazol-1-yl-6-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95826941
2-imidazol-1-yl-6-[(2S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826940
2-imidazol-1-yl-6-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 110258101
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
2-imidazol-1-yl-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine (CID 110267895) is 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine is c1cnc(N2CCCC2c2cccc(-n3ccnc3)n2)nc1.
What is the InChIKey of 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is BMVJEZQBZHNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-4-13(20-15(6-1)21-11-9-17-12-21)14-5-2-10-22(14)16-18-7-3-8-19-16/h1,3-4,6-9,11-12,14H,2,5,10H2.
What are the key properties of 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine?
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 292.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 110267895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).