2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine

C23H24ClF2N3 — CID 142125467

IUPAC2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2Cl)N(C)C(CC)=C1C)c1cc(F)cc(F)c1C
InChIInChI=1S/C23H24ClF2N3/c1-6-21-14(3)22(27-15(4)18-11-16(25)12-20(26)13(18)2)28-23(29(21)5)17-9-7-8-10-19(17)24/h7-12,23H,4,6H2,1-3,5H3,(H,27,28)
InChIKeyNUZOFXIDCGTECU-UHFFFAOYSA-N
MW415.92 g/mol
LogP6.21
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine

2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine (PubChem CID 142125467) has the molecular formula C23H24ClF2N3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine
PubChem CID142125467
Molecular FormulaC23H24ClF2N3
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine
SMILESC=C(NC1=NC(c2ccccc2Cl)N(C)C(CC)=C1C)c1cc(F)cc(F)c1C
InChIInChI=1S/C23H24ClF2N3/c1-6-21-14(3)22(27-15(4)18-11-16(25)12-20(26)13(18)2)28-23(29(21)5)17-9-7-8-10-19(17)24/h7-12,23H,4,6H2,1-3,5H3,(H,27,28)
InChIKeyNUZOFXIDCGTECU-UHFFFAOYSA-N
XLogP6.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10378954
1-(2-chloro-6-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine
CID 20242660
2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 59715234
(4S,5R)-4-(2-chlorophenyl)-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
CID 70138206
1-[(1Z)-2-amino-1-[1-(2-chloro-6-fluorophenyl)ethenyl-[[(3R)-piperidin-3-yl]methyl]amino]buta-1,3-dienyl]-2-[(2,5-difluorophenyl)methyl]guanidine
CID 89271633
1-[(1Z)-2-amino-1-[1-(2-chlorophenyl)ethenyl-[[(3R)-piperidin-3-yl]methyl]amino]buta-1,3-dienyl]-2-[(2,5-difluorophenyl)methyl]guanidine
CID 89271686
1-[(1Z)-2-amino-1-[1-(2-chlorophenyl)ethenyl-(2-piperidin-4-ylethyl)amino]buta-1,3-dienyl]-2-[(3,5-difluorophenyl)methyl]guanidine
CID 89271695
1-[(1Z)-2-amino-1-[1-(2,4-difluorophenyl)ethenyl-(2-piperidin-4-ylethyl)amino]buta-1,3-dienyl]-2-[(2-chlorophenyl)methyl]guanidine
CID 89271699
1-[(1Z)-2-amino-1-[1-(2,3-difluorophenyl)ethenyl-(2-piperidin-4-ylethyl)amino]buta-1,3-dienyl]-2-[(2-chlorophenyl)methyl]guanidine
CID 89271929
6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)-1,4-dihydropyrimidine-2,4-diamine
CID 118567972
4-(2-Chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine
CID 141208435
(2-chlorophenyl)methanamine;ethane;N'-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidamide;pentane;1,2-xylene
CID 142125940

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine (CID 142125467) is 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine is C=C(NC1=NC(c2ccccc2Cl)N(C)C(CC)=C1C)c1cc(F)cc(F)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine?
The InChIKey is NUZOFXIDCGTECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N3/c1-6-21-14(3)22(27-15(4)18-11-16(25)12-20(26)13(18)2)28-23(29(21)5)17-9-7-8-10-19(17)24/h7-12,23H,4,6H2,1-3,5H3,(H,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine?
2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine has a molecular weight of 415.92 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine is sourced from PubChem (CID 142125467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).