2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine

C19H22N6 — CID 95829311

IUPAC2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)n1
InChIInChI=1S/C19H22N6/c1-14-11-15(2)22-19(21-14)24-9-4-5-16(12-24)17-6-3-7-18(23-17)25-10-8-20-13-25/h3,6-8,10-11,13,16H,4-5,9,12H2,1-2H3/t16-/m1/s1
InChIKeyBNDCEMADOJSUEO-MRXNPFEDSA-N
MW334.43 g/mol
LogP3.06
Rot. Bonds3

About 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine

2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 95829311) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
PubChem CID95829311
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)n1
InChIInChI=1S/C19H22N6/c1-14-11-15(2)22-19(21-14)24-9-4-5-16(12-24)17-6-3-7-18(23-17)25-10-8-20-13-25/h3,6-8,10-11,13,16H,4-5,9,12H2,1-2H3/t16-/m1/s1
InChIKeyBNDCEMADOJSUEO-MRXNPFEDSA-N
XLogP3.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.06
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-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829339
2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838629
4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 110257012
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95815844
cyclopentyl-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95838424
2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838563
2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
4,6-dimethyl-2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]pyrimidine
CID 124959792
1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone
CID 110267731

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine (CID 95829311) is 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)n1.
What is the InChIKey of 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is BNDCEMADOJSUEO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-11-15(2)22-19(21-14)24-9-4-5-16(12-24)17-6-3-7-18(23-17)25-10-8-20-13-25/h3,6-8,10-11,13,16H,4-5,9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine?
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 334.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 95829311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).