5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

C37H45ClF6N12O3 — CID 158307618

IUPAC5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23F3N6O.C18H21F3N6O2.ClH/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;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h10-12H,1-9H2,(H2,23,24);9-11H,1-8H2,(H2,22,23);1H
InChIKeyZRWOCKJPBAIGCP-UHFFFAOYSA-N
MW855.29 g/mol
LogP5.20
Rot. Bonds6

About 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 158307618) has the molecular formula C37H45ClF6N12O3 and a molecular weight of 855.29 g/mol. Its IUPAC name is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID158307618
Molecular FormulaC37H45ClF6N12O3
Molecular Weight855.29 g/mol
Exact Mass854.33
IUPAC Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23F3N6O.C18H21F3N6O2.ClH/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;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h10-12H,1-9H2,(H2,23,24);9-11H,1-8H2,(H2,22,23);1H
InChIKeyZRWOCKJPBAIGCP-UHFFFAOYSA-N
XLogP5.20
TPSA170.03 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.29
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride 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

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783403
2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
5-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-amine
CID 24889937

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 158307618) is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is Cl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is ZRWOCKJPBAIGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O.C18H21F3N6O2.ClH/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;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h10-12H,1-9H2,(H2,23,24);9-11H,1-8H2,(H2,22,23);1H.
What are the key properties of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 855.29 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 158307618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).