6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C17H20F3N5 — CID 112914072

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H20F3N5/c1-12-11-15(22-14-5-3-13(4-6-14)17(18,19)20)23-16(21-12)25-9-7-24(2)8-10-25/h3-6,11H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyJXONTURCRYPVDS-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.30
Rot. Bonds3

About 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 112914072) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID112914072
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H20F3N5/c1-12-11-15(22-14-5-3-13(4-6-14)17(18,19)20)23-16(21-12)25-9-7-24(2)8-10-25/h3-6,11H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyJXONTURCRYPVDS-UHFFFAOYSA-N
XLogP3.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914107
N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914058
4-[4-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914776
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122296026
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 112914123
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914032
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122326135

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 112914072) is 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is JXONTURCRYPVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-12-11-15(22-14-5-3-13(4-6-14)17(18,19)20)23-16(21-12)25-9-7-24(2)8-10-25/h3-6,11H,7-10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 351.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112914072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).