N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide

C23H29F3N4O — CID 134104191

IUPACN-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide
SMILESCCNc1nc(NC(=O)C(C)C)nc(C)c1/C=C/C(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H29F3N4O/c1-7-27-19-18(15(4)28-21(29-19)30-20(31)14(2)3)12-13-22(5,6)16-8-10-17(11-9-16)23(24,25)26/h8-14H,7H2,1-6H3,(H2,27,28,29,30,31)/b13-12+
InChIKeyHSOIPUIPPIVFSE-OUKQBFOZSA-N
MW434.51 g/mol
LogP5.82
Rot. Bonds7

About N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide

N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 134104191) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide
PubChem CID134104191
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC NameN-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide
SMILESCCNc1nc(NC(=O)C(C)C)nc(C)c1/C=C/C(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H29F3N4O/c1-7-27-19-18(15(4)28-21(29-19)30-20(31)14(2)3)12-13-22(5,6)16-8-10-17(11-9-16)23(24,25)26/h8-14H,7H2,1-6H3,(H2,27,28,29,30,31)/b13-12+
InChIKeyHSOIPUIPPIVFSE-OUKQBFOZSA-N
XLogP5.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 56695540
6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
CID 67725562
6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 1214887
4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine
CID 134105930
6-ethyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
CID 134104197
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746
2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide
CID 2730673
5-[3-(4-chlorophenyl)-3-methylbut-1-enyl]-6-methylpyrimidine-2,4-diamine
CID 1214841
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 84575416
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 18566630

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide (CID 134104191) is N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide is CCNc1nc(NC(=O)C(C)C)nc(C)c1/C=C/C(C)(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is HSOIPUIPPIVFSE-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H29F3N4O/c1-7-27-19-18(15(4)28-21(29-19)30-20(31)14(2)3)12-13-22(5,6)16-8-10-17(11-9-16)23(24,25)26/h8-14H,7H2,1-6H3,(H2,27,28,29,30,31)/b13-12+.
What are the key properties of N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide?
N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 434.51 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 134104191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).