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

C17H22F2N8O2 — CID 121334508

IUPAC4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCC1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22F2N8O2/c1-10-9-29-7-4-27(10)17-24-14(11-8-21-15(20)22-12(11)13(18)19)23-16(25-17)26-2-5-28-6-3-26/h8,10,13H,2-7,9H2,1H3,(H2,20,21,22)
InChIKeyBSJSHEXWIGDLOO-UHFFFAOYSA-N
MW408.41 g/mol
LogP0.91
Rot. Bonds4

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

4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine (PubChem CID 121334508) has the molecular formula C17H22F2N8O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
PubChem CID121334508
Molecular FormulaC17H22F2N8O2
Molecular Weight408.41 g/mol
Exact Mass408.18
IUPAC Name4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCC1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22F2N8O2/c1-10-9-29-7-4-27(10)17-24-14(11-8-21-15(20)22-12(11)13(18)19)23-16(25-17)26-2-5-28-6-3-26/h8,10,13H,2-7,9H2,1H3,(H2,20,21,22)
InChIKeyBSJSHEXWIGDLOO-UHFFFAOYSA-N
XLogP0.91
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 121334493
1-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(piperidin-3-ylmethoxy)ethanone;hydrochloride
CID 174189151
4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholin-3-one
CID 121334484
5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334408
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
1-[(3R)-3-[3-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-hydroxypropyl]piperidin-1-yl]prop-2-en-1-one
CID 175520036
1-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]butan-1-one
CID 174352368
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334411
4-(difluoromethyl)-5-[4-morpholin-4-yl-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 174350787
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
4-(difluoromethyl)-5-[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 137441015
5-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 70254737

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine (CID 121334508) is 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine is CC1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The InChIKey is BSJSHEXWIGDLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N8O2/c1-10-9-29-7-4-27(10)17-24-14(11-8-21-15(20)22-12(11)13(18)19)23-16(25-17)26-2-5-28-6-3-26/h8,10,13H,2-7,9H2,1H3,(H2,20,21,22).
What are the key properties of 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine has a molecular weight of 408.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 121334508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).