N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride

C37H32Cl2F6N8O4 — CID 159383458

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
SMILESCOc1cc(C)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1OC.COc1cc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c(OC)cc1Cl.Cl
InChIInChI=1S/C19H17F3N4O2.C18H14ClF3N4O2.ClH/c1-11-7-14(27-2)15(28-3)8-13(11)24-17-9-16(19(20,21)22)25-18(26-17)12-5-4-6-23-10-12;1-27-13-8-12(14(28-2)7-11(13)19)24-16-9-15(18(20,21)22)25-17(26-16)10-3-5-23-6-4-10;/h4-10H,1-3H3,(H,24,25,26);3-9H,1-2H3,(H,24,25,26);1H
InChIKeyLLEUVJRFMCHBQF-UHFFFAOYSA-N
MW837.61 g/mol
LogP10.02
Rot. Bonds10

About N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride

N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 159383458) has the molecular formula C37H32Cl2F6N8O4 and a molecular weight of 837.61 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
PubChem CID159383458
Molecular FormulaC37H32Cl2F6N8O4
Molecular Weight837.61 g/mol
Exact Mass836.18
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
SMILESCOc1cc(C)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1OC.COc1cc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c(OC)cc1Cl.Cl
InChIInChI=1S/C19H17F3N4O2.C18H14ClF3N4O2.ClH/c1-11-7-14(27-2)15(28-3)8-13(11)24-17-9-16(19(20,21)22)25-18(26-17)12-5-4-6-23-10-12;1-27-13-8-12(14(28-2)7-11(13)19)24-16-9-15(18(20,21)22)25-17(26-16)10-3-5-23-6-4-10;/h4-10H,1-3H3,(H,24,25,26);3-9H,1-2H3,(H,24,25,26);1H
InChIKeyLLEUVJRFMCHBQF-UHFFFAOYSA-N
XLogP10.02
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.61
LogP ≤ 510.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride with MolForge

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Related Compounds

N-(5-methoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 10269879
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 10109502
methyl 2,2,3-trimethyl-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 133350083
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380378
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877853
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919708
1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133353995
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71691013
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928254
2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133353265
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride (CID 159383458) is N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride is COc1cc(C)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1OC.COc1cc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c(OC)cc1Cl.Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is LLEUVJRFMCHBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2.C18H14ClF3N4O2.ClH/c1-11-7-14(27-2)15(28-3)8-13(11)24-17-9-16(19(20,21)22)25-18(26-17)12-5-4-6-23-10-12;1-27-13-8-12(14(28-2)7-11(13)19)24-16-9-15(18(20,21)22)25-17(26-16)10-3-5-23-6-4-10;/h4-10H,1-3H3,(H,24,25,26);3-9H,1-2H3,(H,24,25,26);1H.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride?
N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 837.61 g/mol, XLogP of 10.02, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 159383458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).