2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine

C24H23F3N6O3 — CID 53476086

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-n2nc(C(F)(F)F)c(C)c2Nc2ccnc(Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C24H23F3N6O3/c1-14-21(24(25,26)27)32-33(16-6-8-17(34-2)9-7-16)22(14)30-20-11-12-28-23(31-20)29-15-5-10-18(35-3)19(13-15)36-4/h5-13H,1-4H3,(H2,28,29,30,31)
InChIKeyWGDKRDIRMFSLCN-UHFFFAOYSA-N
MW500.48 g/mol
LogP5.50
Rot. Bonds8

About 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 53476086) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine
PubChem CID53476086
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-n2nc(C(F)(F)F)c(C)c2Nc2ccnc(Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C24H23F3N6O3/c1-14-21(24(25,26)27)32-33(16-6-8-17(34-2)9-7-16)22(14)30-20-11-12-28-23(31-20)29-15-5-10-18(35-3)19(13-15)36-4/h5-13H,1-4H3,(H2,28,29,30,31)
InChIKeyWGDKRDIRMFSLCN-UHFFFAOYSA-N
XLogP5.50
TPSA95.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine 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

CP466722
CID 44551660
3-((2,2-Difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)-1H-1,2,4-triazole-1-propanamide
CID 16755766
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 62
CID 6539404
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409
Pyrazolo[1,5-b]pyridazine deriv. 80
CID 6539422
Pyrazolo[1,5-b]pyridazine deriv. 91
CID 6539433
Pyrazolo[1,5-b]pyridazine deriv. 95
CID 6539437
Pyrazolo[1,5-b]pyridazine deriv. 97
CID 6539439
Pyrazolo[1,5-b]pyridazine deriv. 101
CID 6539443

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine (CID 53476086) is 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine is COc1ccc(-n2nc(C(F)(F)F)c(C)c2Nc2ccnc(Nc3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is WGDKRDIRMFSLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-14-21(24(25,26)27)32-33(16-6-8-17(34-2)9-7-16)22(14)30-20-11-12-28-23(31-20)29-15-5-10-18(35-3)19(13-15)36-4/h5-13H,1-4H3,(H2,28,29,30,31).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 500.48 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 53476086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).