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

C17H18N6 — CID 95838711

IUPAC2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1nccn1-c1cccc([C@@H]2CCCN2c2ncccn2)n1
InChIInChI=1S/C17H18N6/c1-13-18-10-12-22(13)16-7-2-5-14(21-16)15-6-3-11-23(15)17-19-8-4-9-20-17/h2,4-5,7-10,12,15H,3,6,11H2,1H3/t15-/m0/s1
InChIKeyDMBSHGQLBGKFTI-HNNXBMFYSA-N
MW306.37 g/mol
LogP2.71
Rot. Bonds3

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

2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 95838711) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
PubChem CID95838711
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1nccn1-c1cccc([C@@H]2CCCN2c2ncccn2)n1
InChIInChI=1S/C17H18N6/c1-13-18-10-12-22(13)16-7-2-5-14(21-16)15-6-3-11-23(15)17-19-8-4-9-20-17/h2,4-5,7-10,12,15H,3,6,11H2,1H3/t15-/m0/s1
InChIKeyDMBSHGQLBGKFTI-HNNXBMFYSA-N
XLogP2.71
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone
CID 110152781
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-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815698
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95838692
2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 175657108
2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95826950
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(2-methylimidazol-1-yl)pyridine
CID 110253556
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
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-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine (CID 95838711) is 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine is Cc1nccn1-c1cccc([C@@H]2CCCN2c2ncccn2)n1.
What is the InChIKey of 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is DMBSHGQLBGKFTI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N6/c1-13-18-10-12-22(13)16-7-2-5-14(21-16)15-6-3-11-23(15)17-19-8-4-9-20-17/h2,4-5,7-10,12,15H,3,6,11H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine?
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 306.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 95838711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).