4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine

C20H25N7 — CID 133295060

IUPAC4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCN(Cc3nccn3C)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H25N7/c1-3-17-14-18(24-20(23-17)16-4-6-21-7-5-16)27-12-10-26(11-13-27)15-19-22-8-9-25(19)2/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyUPOWAUXALJIANQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.16
Rot. Bonds5

About 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine

4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine (PubChem CID 133295060) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
PubChem CID133295060
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCN(Cc3nccn3C)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H25N7/c1-3-17-14-18(24-20(23-17)16-4-6-21-7-5-16)27-12-10-26(11-13-27)15-19-22-8-9-25(19)2/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyUPOWAUXALJIANQ-UHFFFAOYSA-N
XLogP2.16
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133294994
4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 133460505
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768552
2,2-diethyl-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133496764
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile
CID 133497850
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine (CID 133295060) is 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine is CCc1cc(N2CCN(Cc3nccn3C)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
The InChIKey is UPOWAUXALJIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-3-17-14-18(24-20(23-17)16-4-6-21-7-5-16)27-12-10-26(11-13-27)15-19-22-8-9-25(19)2/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine?
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine has a molecular weight of 363.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 133295060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).