2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid

C12H17F3N4O2 — CID 170306095

IUPAC2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1nccc(N2CCNC(C)C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N4.C2HF3O2/c1-8-7-14(6-5-11-8)10-3-4-12-9(2)13-10;3-2(4,5)1(6)7/h3-4,8,11H,5-7H2,1-2H3;(H,6,7)
InChIKeyGRQHOLGFIPDMBO-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.22
Rot. Bonds1

About 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid

2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 170306095) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID170306095
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1nccc(N2CCNC(C)C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N4.C2HF3O2/c1-8-7-14(6-5-11-8)10-3-4-12-9(2)13-10;3-2(4,5)1(6)7/h3-4,8,11H,5-7H2,1-2H3;(H,6,7)
InChIKeyGRQHOLGFIPDMBO-UHFFFAOYSA-N
XLogP1.22
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid (CID 170306095) is 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid is Cc1nccc(N2CCNC(C)C2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is GRQHOLGFIPDMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.C2HF3O2/c1-8-7-14(6-5-11-8)10-3-4-12-9(2)13-10;3-2(4,5)1(6)7/h3-4,8,11H,5-7H2,1-2H3;(H,6,7).
What are the key properties of 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid?
2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 306.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170306095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).