5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine

C20H19F2N9O — CID 70254737

IUPAC5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCC1COCCN1c1nc(-c2cnc(N)nc2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C20H19F2N9O/c1-11-10-32-7-6-30(11)19-27-16(12-8-24-18(23)25-9-12)28-20(29-19)31-14-5-3-2-4-13(14)26-17(31)15(21)22/h2-5,8-9,11,15H,6-7,10H2,1H3,(H2,23,24,25)
InChIKeyCXMWFLUKWMYBIY-UHFFFAOYSA-N
MW439.43 g/mol
LogP2.41
Rot. Bonds4

About 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine

5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine (PubChem CID 70254737) has the molecular formula C20H19F2N9O and a molecular weight of 439.43 g/mol. Its IUPAC name is 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
PubChem CID70254737
Molecular FormulaC20H19F2N9O
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC Name5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCC1COCCN1c1nc(-c2cnc(N)nc2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C20H19F2N9O/c1-11-10-32-7-6-30(11)19-27-16(12-8-24-18(23)25-9-12)28-20(29-19)31-14-5-3-2-4-13(14)26-17(31)15(21)22/h2-5,8-9,11,15H,6-7,10H2,1H3,(H2,23,24,25)
InChIKeyCXMWFLUKWMYBIY-UHFFFAOYSA-N
XLogP2.41
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 70253902
(3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-methylmorpholine
CID 90226403
5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 121334493
4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-methylsulfinylpyrimidin-4-yl]-3-methylmorpholine
CID 77399109
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 139520998
5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334408
6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
CID 145231642
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 25010185
5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829320

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine (CID 70254737) is 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine is CC1COCCN1c1nc(-c2cnc(N)nc2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The InChIKey is CXMWFLUKWMYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N9O/c1-11-10-32-7-6-30(11)19-27-16(12-8-24-18(23)25-9-12)28-20(29-19)31-14-5-3-2-4-13(14)26-17(31)15(21)22/h2-5,8-9,11,15H,6-7,10H2,1H3,(H2,23,24,25).
What are the key properties of 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine?
5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine has a molecular weight of 439.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 70254737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).