5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C16H19F3N8O2 — CID 46202652

IUPAC5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
InChIKeyIFPHRQQBRZZIOQ-UHFFFAOYSA-N
MW412.38 g/mol
LogP0.60
Rot. Bonds3

About 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 46202652) has the molecular formula C16H19F3N8O2 and a molecular weight of 412.38 g/mol. Its IUPAC name is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID46202652
Molecular FormulaC16H19F3N8O2
Molecular Weight412.38 g/mol
Exact Mass412.16
IUPAC Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
InChIKeyIFPHRQQBRZZIOQ-UHFFFAOYSA-N
XLogP0.60
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 139508931
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 75201318
4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine;bis(4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine);5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 163794523
(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 162592459
4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholin-3-one
CID 121334484
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one
CID 121477321
[3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol
CID 161150053
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807790
(3S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 141372756
5-[4-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508292

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 46202652) is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is IFPHRQQBRZZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22).
What are the key properties of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 412.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 46202652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).