6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine

C24H27F3N8O2 — CID 59507590

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCNCC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H27F3N8O2/c25-24(26,27)18-11-20(28)30-14-17(18)19-12-21(34-23(33-19)35-7-9-36-10-8-35)32-15-1-2-22(31-13-15)37-16-3-5-29-6-4-16/h1-2,11-14,16,29H,3-10H2,(H2,28,30)(H,32,33,34)
InChIKeyOJXVICOZCSAUKE-UHFFFAOYSA-N
MW516.53 g/mol
LogP3.25
Rot. Bonds6

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 59507590) has the molecular formula C24H27F3N8O2 and a molecular weight of 516.53 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID59507590
Molecular FormulaC24H27F3N8O2
Molecular Weight516.53 g/mol
Exact Mass516.22
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCNCC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H27F3N8O2/c25-24(26,27)18-11-20(28)30-14-17(18)19-12-21(34-23(33-19)35-7-9-36-10-8-35)32-15-1-2-22(31-13-15)37-16-3-5-29-6-4-16/h1-2,11-14,16,29H,3-10H2,(H2,28,30)(H,32,33,34)
InChIKeyOJXVICOZCSAUKE-UHFFFAOYSA-N
XLogP3.25
TPSA123.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine 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

N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
N-(2,6-difluorophenyl)-4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)piperidine-1-carboxamide
CID 11365185
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785083
4-[2-[(6-Methoxy-3-pyridinyl)amino]-5-(piperazin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 49785828
3-(6-(6-Methoxypyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 50908894
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
4-(2-(6-Methoxypyridin-3-ylamino)-5-(piperidin-1-ylmethyl)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548177
1-[[5-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol
CID 59548220

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine (CID 59507590) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine is Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCNCC4)nc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is OJXVICOZCSAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O2/c25-24(26,27)18-11-20(28)30-14-17(18)19-12-21(34-23(33-19)35-7-9-36-10-8-35)32-15-1-2-22(31-13-15)37-16-3-5-29-6-4-16/h1-2,11-14,16,29H,3-10H2,(H2,28,30)(H,32,33,34).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 516.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 59507590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).