5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine

C18H21N7 — CID 163356833

IUPAC5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)nc1
InChIInChI=1S/C18H21N7/c1-2-15-12-20-18(21-13-15)24-10-8-23(9-11-24)16-4-3-5-17(22-16)25-7-6-19-14-25/h3-7,12-14H,2,8-11H2,1H3
InChIKeyLUOCVQXEYGQSEX-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.95
Rot. Bonds4

About 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine

5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 163356833) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID163356833
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)nc1
InChIInChI=1S/C18H21N7/c1-2-15-12-20-18(21-13-15)24-10-8-23(9-11-24)16-4-3-5-17(22-16)25-7-6-19-14-25/h3-7,12-14H,2,8-11H2,1H3
InChIKeyLUOCVQXEYGQSEX-UHFFFAOYSA-N
XLogP1.95
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine (CID 163356833) is 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine is CCc1cnc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)nc1.
What is the InChIKey of 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is LUOCVQXEYGQSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-2-15-12-20-18(21-13-15)24-10-8-23(9-11-24)16-4-3-5-17(22-16)25-7-6-19-14-25/h3-7,12-14H,2,8-11H2,1H3.
What are the key properties of 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine?
5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 335.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(6-imidazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163356833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).