2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine

C18H20N6 — CID 124998210

IUPAC2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@H]2c2cccc(-n3ccnc3)n2)n1
InChIInChI=1S/C18H20N6/c1-13-11-14(2)21-18(20-13)24-9-4-6-16(24)15-5-3-7-17(22-15)23-10-8-19-12-23/h3,5,7-8,10-12,16H,4,6,9H2,1-2H3/t16-/m1/s1
InChIKeyRGCXECWFUJBRHD-MRXNPFEDSA-N
MW320.40 g/mol
LogP3.02
Rot. Bonds3

About 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine

2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 124998210) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
PubChem CID124998210
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@H]2c2cccc(-n3ccnc3)n2)n1
InChIInChI=1S/C18H20N6/c1-13-11-14(2)21-18(20-13)24-9-4-6-16(24)15-5-3-7-17(22-15)23-10-8-19-12-23/h3,5,7-8,10-12,16H,4,6,9H2,1-2H3/t16-/m1/s1
InChIKeyRGCXECWFUJBRHD-MRXNPFEDSA-N
XLogP3.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
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-[(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
4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
CID 124970255
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
2-imidazol-1-yl-6-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 110258101

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine (CID 124998210) is 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCC[C@@H]2c2cccc(-n3ccnc3)n2)n1.
What is the InChIKey of 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is RGCXECWFUJBRHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-11-14(2)21-18(20-13)24-9-4-6-16(24)15-5-3-7-17(22-15)23-10-8-19-12-23/h3,5,7-8,10-12,16H,4,6,9H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine?
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 320.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 124998210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).