4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine

C45H54F6N14O — CID 167614964

IUPAC4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN.Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CCC(C(F)(F)F)CC1.FC(F)(F)C1CCNCC1
InChIInChI=1S/C23H26F3N7O.C16H18N6.C6H10F3N/c1-15-11-16(20-5-8-27-21(31-20)30-19-13-29-32(2)14-19)3-4-17(15)12-28-22(34)33-9-6-18(7-10-33)23(24,25)26;1-11-7-12(3-4-13(11)8-17)15-5-6-18-16(21-15)20-14-9-19-22(2)10-14;7-6(8,9)5-1-3-10-4-2-5/h3-5,8,11,13-14,18H,6-7,9-10,12H2,1-2H3,(H,28,34)(H,27,30,31);3-7,9-10H,8,17H2,1-2H3,(H,18,20,21);5,10H,1-4H2
InChIKeyLPNQSOMPZPFOIV-UHFFFAOYSA-N
MW921.01 g/mol
LogP8.35
Rot. Bonds9

About 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine

4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine (PubChem CID 167614964) has the molecular formula C45H54F6N14O and a molecular weight of 921.01 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine
PubChem CID167614964
Molecular FormulaC45H54F6N14O
Molecular Weight921.01 g/mol
Exact Mass920.45
IUPAC Name4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN.Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CCC(C(F)(F)F)CC1.FC(F)(F)C1CCNCC1
InChIInChI=1S/C23H26F3N7O.C16H18N6.C6H10F3N/c1-15-11-16(20-5-8-27-21(31-20)30-19-13-29-32(2)14-19)3-4-17(15)12-28-22(34)33-9-6-18(7-10-33)23(24,25)26;1-11-7-12(3-4-13(11)8-17)15-5-6-18-16(21-15)20-14-9-19-22(2)10-14;7-6(8,9)5-1-3-10-4-2-5/h3-5,8,11,13-14,18H,6-7,9-10,12H2,1-2H3,(H,28,34)(H,27,30,31);3-7,9-10H,8,17H2,1-2H3,(H,18,20,21);5,10H,1-4H2
InChIKeyLPNQSOMPZPFOIV-UHFFFAOYSA-N
XLogP8.35
TPSA181.65 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.01
LogP ≤ 58.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine with MolForge

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Related Compounds

1-[[4-[2-[[1-(2-Hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-(trifluoromethyl)phenyl]methyl]-4-(2-methylpropyl)piperazin-2-one
CID 118139347
3-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 118139435
N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-ylpyrrolidine-1-carboxamide
CID 118139808
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide
CID 162676190
(3S)-3-tert-butyl-N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]pyrrolidine-1-carboxamide
CID 166634307
4-(2,2-Dimethylpropyl)-1-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-one
CID 168278348
N-[2-methyl-5-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]triazol-1-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 72550911
1-[[2-Methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(2-methylpropyl)piperazin-2-one
CID 118139756
1-[[2-Methyl-4-[2-[[1-(1-methylazetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]methyl]-4-(2-methylpropyl)piperazin-2-one
CID 140749049
1-[4-[4-[(5,8-Dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 56602725
1-[4-[4-[[8-Methyl-9-[(2-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 68059995
1-[4-[4-[[8-Methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 89708806

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine?
The IUPAC name of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine (CID 167614964) is 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine is Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN.Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CCC(C(F)(F)F)CC1.FC(F)(F)C1CCNCC1.
What is the InChIKey of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine?
The InChIKey is LPNQSOMPZPFOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N7O.C16H18N6.C6H10F3N/c1-15-11-16(20-5-8-27-21(31-20)30-19-13-29-32(2)14-19)3-4-17(15)12-28-22(34)33-9-6-18(7-10-33)23(24,25)26;1-11-7-12(3-4-13(11)8-17)15-5-6-18-16(21-15)20-14-9-19-22(2)10-14;7-6(8,9)5-1-3-10-4-2-5/h3-5,8,11,13-14,18H,6-7,9-10,12H2,1-2H3,(H,28,34)(H,27,30,31);3-7,9-10H,8,17H2,1-2H3,(H,18,20,21);5,10H,1-4H2.
What are the key properties of 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine?
4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine has a molecular weight of 921.01 g/mol, XLogP of 8.35, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-4-(trifluoromethyl)piperidine-1-carboxamide;4-(trifluoromethyl)piperidine is sourced from PubChem (CID 167614964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).