5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C37H44BrClF6N12O3 — CID 161052978

IUPAC5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESClc1cc(N2CCOCC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.Nc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C19H23F3N6O.C12H17ClN4O2.C6H4BrF3N2/c20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-6-8-29-9-7-27)26-18(25-15)28-4-2-1-3-5-28;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;7-4-2-12-5(11)1-3(4)6(8,9)10/h10-12H,1-9H2,(H2,23,24);9H,1-8H2;1-2H,(H2,11,12)
InChIKeyUCJNOUNKCBQWTC-UHFFFAOYSA-N
MW934.18 g/mol
LogP6.21
Rot. Bonds5

About 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161052978) has the molecular formula C37H44BrClF6N12O3 and a molecular weight of 934.18 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID161052978
Molecular FormulaC37H44BrClF6N12O3
Molecular Weight934.18 g/mol
Exact Mass932.24
IUPAC Name5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESClc1cc(N2CCOCC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.Nc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C19H23F3N6O.C12H17ClN4O2.C6H4BrF3N2/c20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-6-8-29-9-7-27)26-18(25-15)28-4-2-1-3-5-28;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;7-4-2-12-5(11)1-3(4)6(8,9)10/h10-12H,1-9H2,(H2,23,24);9H,1-8H2;1-2H,(H2,11,12)
InChIKeyUCJNOUNKCBQWTC-UHFFFAOYSA-N
XLogP6.21
TPSA170.03 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.18
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

Buparlisib
CID 16654980
4-Chloro-5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-2-pyridinamine
CID 59507602
4-(Difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 121334444
Buparlisib Hydrochloride
CID 66577015
5-(2-Morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 129635887
5-(2-Morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 137332306
4-[4-(5-Chloropyridin-3-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761741
4-[4-(2-Chloropyridin-4-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761941
5-(5-Chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507504
5-(6-Chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507529
6-(6-amino-4-chloropyridin-3-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)pyridin-4-yl]pyrimidin-4-amine
CID 59507640
5-[2-Morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)pyridin-3-yl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 161052978) is 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.Nc1cc(C(F)(F)F)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UCJNOUNKCBQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O.C12H17ClN4O2.C6H4BrF3N2/c20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-6-8-29-9-7-27)26-18(25-15)28-4-2-1-3-5-28;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;7-4-2-12-5(11)1-3(4)6(8,9)10/h10-12H,1-9H2,(H2,23,24);9H,1-8H2;1-2H,(H2,11,12).
What are the key properties of 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 934.18 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161052978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).