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

C18H21N7 — CID 95829316

IUPAC2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC(c3cncc(-n4ccnc4)n3)CC2)n1
InChIInChI=1S/C18H21N7/c1-13-9-14(2)22-18(21-13)24-6-3-15(4-7-24)16-10-20-11-17(23-16)25-8-5-19-12-25/h5,8-12,15H,3-4,6-7H2,1-2H3
InChIKeyXIEAYBTVOIPEOK-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.45
Rot. Bonds3

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

2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 95829316) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
PubChem CID95829316
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCC(c3cncc(-n4ccnc4)n3)CC2)n1
InChIInChI=1S/C18H21N7/c1-13-9-14(2)22-18(21-13)24-6-3-15(4-7-24)16-10-20-11-17(23-16)25-8-5-19-12-25/h5,8-12,15H,3-4,6-7H2,1-2H3
InChIKeyXIEAYBTVOIPEOK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine (CID 95829316) is 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCC(c3cncc(-n4ccnc4)n3)CC2)n1.
What is the InChIKey of 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is XIEAYBTVOIPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-13-9-14(2)22-18(21-13)24-6-3-15(4-7-24)16-10-20-11-17(23-16)25-8-5-19-12-25/h5,8-12,15H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine?
2-[4-(6-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-[4-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 95829316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).