2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine

C16H22N4O — CID 95415455

IUPAC2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2ccnc2[C@H]2CCOC(C)(C)C2)cn1
InChIInChI=1S/C16H22N4O/c1-12-9-19-14(10-18-12)11-20-6-5-17-15(20)13-4-7-21-16(2,3)8-13/h5-6,9-10,13H,4,7-8,11H2,1-3H3/t13-/m0/s1
InChIKeyJNNBUOZVCCWBDP-ZDUSSCGKSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds3

About 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine

2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine (PubChem CID 95415455) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
PubChem CID95415455
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2ccnc2[C@H]2CCOC(C)(C)C2)cn1
InChIInChI=1S/C16H22N4O/c1-12-9-19-14(10-18-12)11-20-6-5-17-15(20)13-4-7-21-16(2,3)8-13/h5-6,9-10,13H,4,7-8,11H2,1-3H3/t13-/m0/s1
InChIKeyJNNBUOZVCCWBDP-ZDUSSCGKSA-N
XLogP2.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine (CID 95415455) is 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine is Cc1cnc(Cn2ccnc2[C@H]2CCOC(C)(C)C2)cn1.
What is the InChIKey of 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
The InChIKey is JNNBUOZVCCWBDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-9-19-14(10-18-12)11-20-6-5-17-15(20)13-4-7-21-16(2,3)8-13/h5-6,9-10,13H,4,7-8,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine has a molecular weight of 286.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 95415455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).