N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C24H21F3N4 — CID 142125443

IUPACN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCC1N=C(Nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)C=C1c1ccccc1
InChIInChI=1S/C24H21F3N4/c1-3-20-19(16-7-5-4-6-8-16)14-22(29-20)30-21-13-15(2)28-23(31-21)17-9-11-18(12-10-17)24(25,26)27/h4-14,20H,3H2,1-2H3,(H,28,29,30,31)
InChIKeyIZWFWPLICGANBF-UHFFFAOYSA-N
MW422.45 g/mol
LogP6.16
Rot. Bonds4

About N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 142125443) has the molecular formula C24H21F3N4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID142125443
Molecular FormulaC24H21F3N4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCC1N=C(Nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)C=C1c1ccccc1
InChIInChI=1S/C24H21F3N4/c1-3-20-19(16-7-5-4-6-8-16)14-22(29-20)30-21-13-15(2)28-23(31-21)17-9-11-18(12-10-17)24(25,26)27/h4-14,20H,3H2,1-2H3,(H,28,29,30,31)
InChIKeyIZWFWPLICGANBF-UHFFFAOYSA-N
XLogP6.16
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]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

N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine
CID 147189090
N-[2-ethyl-3-(furan-2-yl)-2H-pyrrol-5-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 142125432
N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 142125974
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid
CID 139886551
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917144

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 142125443) is N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCC1N=C(Nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)C=C1c1ccccc1.
What is the InChIKey of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is IZWFWPLICGANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4/c1-3-20-19(16-7-5-4-6-8-16)14-22(29-20)30-21-13-15(2)28-23(31-21)17-9-11-18(12-10-17)24(25,26)27/h4-14,20H,3H2,1-2H3,(H,28,29,30,31).
What are the key properties of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 422.45 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 142125443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).