2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride

C10H15Cl2F3N4 — CID 166606228

IUPAC2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
SMILESCc1nc(N2CCNCC2)cc(C(F)(F)F)n1.Cl.Cl
InChIInChI=1S/C10H13F3N4.2ClH/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-17;;/h6,14H,2-5H2,1H3;2*1H
InChIKeyIYGKTIPVXKEKTP-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.06
Rot. Bonds1

About 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride

2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride (PubChem CID 166606228) has the molecular formula C10H15Cl2F3N4 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
PubChem CID166606228
Molecular FormulaC10H15Cl2F3N4
Molecular Weight319.16 g/mol
Exact Mass318.06
IUPAC Name2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
SMILESCc1nc(N2CCNCC2)cc(C(F)(F)F)n1.Cl.Cl
InChIInChI=1S/C10H13F3N4.2ClH/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-17;;/h6,14H,2-5H2,1H3;2*1H
InChIKeyIYGKTIPVXKEKTP-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
2-methyl-4-(trifluoromethyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 91631653
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
CID 121204773
1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pent-4-en-1-one
CID 91631591
3-(methoxymethyl)-5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 154882638
2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 154882870
1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
CID 177040771
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 154883096
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 139028684
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride?
The IUPAC name of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride (CID 166606228) is 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride is Cc1nc(N2CCNCC2)cc(C(F)(F)F)n1.Cl.Cl.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride?
The InChIKey is IYGKTIPVXKEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4.2ClH/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-17;;/h6,14H,2-5H2,1H3;2*1H.
What are the key properties of 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride?
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride has a molecular weight of 319.16 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride is sourced from PubChem (CID 166606228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).