4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

C15H19F3N6 — CID 56906811

IUPAC4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C15H19F3N6/c1-11-9-12(15(16,17)18)21-14(20-11)24-7-5-23(6-8-24)10-13-19-3-4-22(13)2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyMKLAFTKHANUYOJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.86
Rot. Bonds3

About 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 56906811) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID56906811
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C15H19F3N6/c1-11-9-12(15(16,17)18)21-14(20-11)24-7-5-23(6-8-24)10-13-19-3-4-22(13)2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyMKLAFTKHANUYOJ-UHFFFAOYSA-N
XLogP1.86
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 56873336
3-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 155941729
2-[4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperazin-1-yl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 56895274
4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 133460505
2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 155942142
1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 70760220
2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 82166099
N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 95290702
2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 124575843
(2-methylpyrazol-3-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 131943333
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 44824534
[4-(hydroxymethyl)phenyl]-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 72852959

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 56906811) is 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(N2CCN(Cc3nccn3C)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is MKLAFTKHANUYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-11-9-12(15(16,17)18)21-14(20-11)24-7-5-23(6-8-24)10-13-19-3-4-22(13)2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 340.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56906811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).