6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C20H22F3N7O — CID 91970523

IUPAC6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(C(F)(F)F)cc3)n2)n[nH]1
InChIInChI=1S/C20H22F3N7O/c1-13-11-17(28-27-13)24-16-12-18(30-9-7-29(2)8-10-30)26-19(25-16)31-15-5-3-14(4-6-15)20(21,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyFAWGFTNQNJRUMT-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.81
Rot. Bonds5

About 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 91970523) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID91970523
Molecular FormulaC20H22F3N7O
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(C(F)(F)F)cc3)n2)n[nH]1
InChIInChI=1S/C20H22F3N7O/c1-13-11-17(28-27-13)24-16-12-18(30-9-7-29(2)8-10-30)26-19(25-16)31-15-5-3-14(4-6-15)20(21,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyFAWGFTNQNJRUMT-UHFFFAOYSA-N
XLogP3.81
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine (15a)
CID 91970516
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)oxy)phenyl)propionamide (24)
CID 91844461
N-(3-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)oxy)phenyl)propionamide (23)
CID 91970527
N-[4-({4-(4-Methylpiperazin-1-Yl)-6-[(5-Methyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}oxy)phenyl]prop-2-Enamide
CID 68342470
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(p-tolyloxy)pyrimidin-4-amine (15d)
CID 91970519
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyquinazolin-4-amine
CID 9901505
N-(4-(trifluoromethoxy)phenyl)-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidin-4-amine
CID 42635093
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 53324544
4-chloro-6-{4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidino}-2-pyrimidinamine
CID 3596967
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2Z)-2-(2-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 5903656
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 9607467

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 91970523) is 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(C(F)(F)F)cc3)n2)n[nH]1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is FAWGFTNQNJRUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c1-13-11-17(28-27-13)24-16-12-18(30-9-7-29(2)8-10-30)26-19(25-16)31-15-5-3-14(4-6-15)20(21,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 433.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 91970523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).