4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine

C14H20N6 — CID 77085367

IUPAC4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCCc1cc(N2CCN(Cc3ncc[nH]3)CC2)ncn1
InChIInChI=1S/C14H20N6/c1-2-12-9-14(18-11-17-12)20-7-5-19(6-8-20)10-13-15-3-4-16-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,15,16)
InChIKeyMPOAGPJVTKHESF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.08
Rot. Bonds4

About 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine

4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 77085367) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID77085367
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCCc1cc(N2CCN(Cc3ncc[nH]3)CC2)ncn1
InChIInChI=1S/C14H20N6/c1-2-12-9-14(18-11-17-12)20-7-5-19(6-8-20)10-13-15-3-4-16-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,15,16)
InChIKeyMPOAGPJVTKHESF-UHFFFAOYSA-N
XLogP1.08
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine (CID 77085367) is 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine is CCc1cc(N2CCN(Cc3ncc[nH]3)CC2)ncn1.
What is the InChIKey of 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is MPOAGPJVTKHESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-12-9-14(18-11-17-12)20-7-5-19(6-8-20)10-13-15-3-4-16-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine?
4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 272.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 77085367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).