ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C41H41F6N9O2 — CID 142951045

IUPACethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCC.FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1.FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)ncn2)cc1
InChIInChI=1S/C23H24F3N5O2.C16H11F3N4.C2H6/c24-23(25,26)33-19-8-6-18(7-9-19)28-21-16-20(27-10-11-31-12-14-32-15-13-31)29-22(30-21)17-4-2-1-3-5-17;17-16(18,19)12-1-3-13(4-2-12)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11;1-2/h1-9,16H,10-15H2,(H2,27,28,29,30);1-10H,(H,21,22,23);1-2H3
InChIKeyCRFXWLNHNBKIEJ-UHFFFAOYSA-N
MW805.83 g/mol
LogP9.86
Rot. Bonds11

About ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 142951045) has the molecular formula C41H41F6N9O2 and a molecular weight of 805.83 g/mol. Its IUPAC name is ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID142951045
Molecular FormulaC41H41F6N9O2
Molecular Weight805.83 g/mol
Exact Mass805.33
IUPAC Nameethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCC.FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1.FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)ncn2)cc1
InChIInChI=1S/C23H24F3N5O2.C16H11F3N4.C2H6/c24-23(25,26)33-19-8-6-18(7-9-19)28-21-16-20(27-10-11-31-12-14-32-15-13-31)29-22(30-21)17-4-2-1-3-5-17;17-16(18,19)12-1-3-13(4-2-12)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11;1-2/h1-9,16H,10-15H2,(H2,27,28,29,30);1-10H,(H,21,22,23);1-2H3
InChIKeyCRFXWLNHNBKIEJ-UHFFFAOYSA-N
XLogP9.86
TPSA122.24 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.83
LogP ≤ 59.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
N-(2,6-difluorophenyl)-4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)piperidine-1-carboxamide
CID 11365185
6-(pyridin-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 11381980
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347181
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 14347182
1-[2-Fluoro-4-(3-morpholin-4-ylpyrido[2,3-b]pyrazin-8-yl)oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 44133362
5-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluoromethoxy)phenyl)pyrimidine-4,6-diamine
CID 44194781
7-(2-morpholinoethyl)-N-(4-(trifluoromethoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 49781879
4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785083

Frequently Asked Questions

What is the IUPAC name of ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 142951045) is ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is CC.FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)cc1.FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)ncn2)cc1.
What is the InChIKey of ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is CRFXWLNHNBKIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2.C16H11F3N4.C2H6/c24-23(25,26)33-19-8-6-18(7-9-19)28-21-16-20(27-10-11-31-12-14-32-15-13-31)29-22(30-21)17-4-2-1-3-5-17;17-16(18,19)12-1-3-13(4-2-12)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11;1-2/h1-9,16H,10-15H2,(H2,27,28,29,30);1-10H,(H,21,22,23);1-2H3.
What are the key properties of ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 805.83 g/mol, XLogP of 9.86, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;6-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 142951045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).