4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine

C14H16F2N6O — CID 177044194

IUPAC4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine
SMILESCc1nc(-c2cnc(C)nc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16F2N6O/c1-8-17-7-10(11(18-8)12(15)16)13-19-9(2)20-14(21-13)22-3-5-23-6-4-22/h7,12H,3-6H2,1-2H3
InChIKeyUZJBIOIVHGIVHQ-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.72
Rot. Bonds3

About 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine

4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine (PubChem CID 177044194) has the molecular formula C14H16F2N6O and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine
PubChem CID177044194
Molecular FormulaC14H16F2N6O
Molecular Weight322.32 g/mol
Exact Mass322.14
IUPAC Name4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine
SMILESCc1nc(-c2cnc(C)nc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16F2N6O/c1-8-17-7-10(11(18-8)12(15)16)13-19-9(2)20-14(21-13)22-3-5-23-6-4-22/h7,12H,3-6H2,1-2H3
InChIKeyUZJBIOIVHGIVHQ-UHFFFAOYSA-N
XLogP1.72
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine
CID 58508197
CID 121334488
CID 121334488
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334504
5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 137453918
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 146346677
2-methyl-7-[2-(2,2,2-trifluoroethoxy)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53565323
5-[4-(3,6-dihydro-2H-pyran-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172450763
4-(Difluoromethyl)-5-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 172465739
5-[4-Morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172467474
4-(difluoromethyl)-5-[4-(3,6-dihydro-2H-pyran-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 172469743
4-[4-(Trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2809218

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine (CID 177044194) is 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine is Cc1nc(-c2cnc(C)nc2C(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is UZJBIOIVHGIVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6O/c1-8-17-7-10(11(18-8)12(15)16)13-19-9(2)20-14(21-13)22-3-5-23-6-4-22/h7,12H,3-6H2,1-2H3.
What are the key properties of 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine?
4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 322.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(difluoromethyl)-2-methylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 177044194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).