6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C38H30ClF6N7O3 — CID 157157055

IUPAC6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1.FC(F)(F)Oc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19F3N4O2.C17H11ClF3N3O/c22-21(23,24)30-17-8-6-16(7-9-17)25-18-14-19(28-10-12-29-13-11-28)27-20(26-18)15-4-2-1-3-5-15;18-14-10-15(24-16(23-14)11-4-2-1-3-5-11)22-12-6-8-13(9-7-12)25-17(19,20)21/h1-9,14H,10-13H2,(H,25,26,27);1-10H,(H,22,23,24)
InChIKeyALXXFNMMZBDNLI-UHFFFAOYSA-N
MW782.15 g/mol
LogP10.06
Rot. Bonds9

About 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 157157055) has the molecular formula C38H30ClF6N7O3 and a molecular weight of 782.15 g/mol. Its IUPAC name is 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID157157055
Molecular FormulaC38H30ClF6N7O3
Molecular Weight782.15 g/mol
Exact Mass781.20
IUPAC Name6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1.FC(F)(F)Oc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19F3N4O2.C17H11ClF3N3O/c22-21(23,24)30-17-8-6-16(7-9-17)25-18-14-19(28-10-12-29-13-11-28)27-20(26-18)15-4-2-1-3-5-15;18-14-10-15(24-16(23-14)11-4-2-1-3-5-11)22-12-6-8-13(9-7-12)25-17(19,20)21/h1-9,14H,10-13H2,(H,25,26,27);1-10H,(H,22,23,24)
InChIKeyALXXFNMMZBDNLI-UHFFFAOYSA-N
XLogP10.06
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.15
LogP ≤ 510.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 157157055) is 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1.FC(F)(F)Oc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is ALXXFNMMZBDNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2.C17H11ClF3N3O/c22-21(23,24)30-17-8-6-16(7-9-17)25-18-14-19(28-10-12-29-13-11-28)27-20(26-18)15-4-2-1-3-5-15;18-14-10-15(24-16(23-14)11-4-2-1-3-5-11)22-12-6-8-13(9-7-12)25-17(19,20)21/h1-9,14H,10-13H2,(H,25,26,27);1-10H,(H,22,23,24).
What are the key properties of 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 782.15 g/mol, XLogP of 10.06, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-morpholin-4-yl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 157157055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).