N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H14F3N5O2 — CID 10134174

IUPACN-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)c1
InChIInChI=1S/C17H14F3N5O2/c1-26-10-3-4-13(27-2)11(7-10)23-15-8-14(17(18,19)20)24-16(25-15)12-9-21-5-6-22-12/h3-9H,1-2H3,(H,23,24,25)
InChIKeyNYJNMYXJHGUEDV-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.71
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 10134174) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID10134174
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)c1
InChIInChI=1S/C17H14F3N5O2/c1-26-10-3-4-13(27-2)11(7-10)23-15-8-14(17(18,19)20)24-16(25-15)12-9-21-5-6-22-12/h3-9H,1-2H3,(H,23,24,25)
InChIKeyNYJNMYXJHGUEDV-UHFFFAOYSA-N
XLogP3.71
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)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

Rociletinib
CID 57335384
Bisanilinopyrimidine, 6f
CID 70702137
4-N-(2-dimethylphosphorylphenyl)-5-fluoro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 68165338
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 165415264
SoRI 8895
CID 72468
6-[(2,5-dimethoxy-N-methyl-anilino)methyl]pteridine-2,4-diamine
CID 457344
6-[[(2,5-Dimethoxyphenyl)methylamino]methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457345
N6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476036
N6-(2,5-dimethoxyphenyl)-N6-methyl-pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476037
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
4-(2,5-Dimethoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9969752

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 10134174) is N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is COc1ccc(OC)c(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NYJNMYXJHGUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-26-10-3-4-13(27-2)11(7-10)23-15-8-14(17(18,19)20)24-16(25-15)12-9-21-5-6-22-12/h3-9H,1-2H3,(H,23,24,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 377.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 10134174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).