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

C18H21N7 — CID 95829339

IUPAC2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)n1
InChIInChI=1S/C18H21N7/c1-13-10-14(2)23-18(22-13)24-8-3-4-15(11-24)16-17(21-6-5-20-16)25-9-7-19-12-25/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3/t15-/m1/s1
InChIKeyBBGISXUPXSDKTR-OAHLLOKOSA-N
MW335.42 g/mol
LogP2.45
Rot. Bonds3

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

2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 95829339) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
PubChem CID95829339
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)n1
InChIInChI=1S/C18H21N7/c1-13-10-14(2)23-18(22-13)24-8-3-4-15(11-24)16-17(21-6-5-20-16)25-9-7-19-12-25/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3/t15-/m1/s1
InChIKeyBBGISXUPXSDKTR-OAHLLOKOSA-N
XLogP2.45
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 110257012
4,6-dimethyl-2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]pyrimidine
CID 124959792
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
CID 95810845
2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine
CID 95819472
2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110259066
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95815844
2-(3-bromopiperidin-1-yl)-4,6-dimethylpyrimidine
CID 80673034
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
CID 63391936
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110258426

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine (CID 95829339) is 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)n1.
What is the InChIKey of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is BBGISXUPXSDKTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N7/c1-13-10-14(2)23-18(22-13)24-8-3-4-15(11-24)16-17(21-6-5-20-16)25-9-7-19-12-25/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 335.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 95829339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).