5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C19H18F3N5O — CID 56738222

IUPAC5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2ncccc2CNc2nc(C(F)(F)F)nc(C)c2C)cn1
InChIInChI=1S/C19H18F3N5O/c1-11-6-7-15(10-24-11)28-17-14(5-4-8-23-17)9-25-16-12(2)13(3)26-18(27-16)19(20,21)22/h4-8,10H,9H2,1-3H3,(H,25,26,27)
InChIKeyOCXWCLYLILLHKP-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.62
Rot. Bonds5

About 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 56738222) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID56738222
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2ncccc2CNc2nc(C(F)(F)F)nc(C)c2C)cn1
InChIInChI=1S/C19H18F3N5O/c1-11-6-7-15(10-24-11)28-17-14(5-4-8-23-17)9-25-16-12(2)13(3)26-18(27-16)19(20,21)22/h4-8,10H,9H2,1-3H3,(H,25,26,27)
InChIKeyOCXWCLYLILLHKP-UHFFFAOYSA-N
XLogP4.62
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

Gdc-0134
CID 86298636
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
6-[(2-Difluoromethoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472852
4-(2,4-Difluorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1470718
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152
4-(2-Methoxy-5-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133128
4-(2,5-Dimethoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10156358
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 56738222) is 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(Oc2ncccc2CNc2nc(C(F)(F)F)nc(C)c2C)cn1.
What is the InChIKey of 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OCXWCLYLILLHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-11-6-7-15(10-24-11)28-17-14(5-4-8-23-17)9-25-16-12(2)13(3)26-18(27-16)19(20,21)22/h4-8,10H,9H2,1-3H3,(H,25,26,27).
What are the key properties of 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 389.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 56738222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).