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

C18H24F2N8O2 — CID 121334493

IUPAC5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
SMILESCC1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2C)n1
InChIInChI=1S/C18H24F2N8O2/c1-10-8-29-5-3-27(10)17-24-15(12-7-22-16(21)23-13(12)14(19)20)25-18(26-17)28-4-6-30-9-11(28)2/h7,10-11,14H,3-6,8-9H2,1-2H3,(H2,21,22,23)
InChIKeyPXERPZQUMMXALS-UHFFFAOYSA-N
MW422.44 g/mol
LogP1.30
Rot. Bonds4

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

5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine (PubChem CID 121334493) has the molecular formula C18H24F2N8O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
PubChem CID121334493
Molecular FormulaC18H24F2N8O2
Molecular Weight422.44 g/mol
Exact Mass422.20
IUPAC Name5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
SMILESCC1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2C)n1
InChIInChI=1S/C18H24F2N8O2/c1-10-8-29-5-3-27(10)17-24-15(12-7-22-16(21)23-13(12)14(19)20)25-18(26-17)28-4-6-30-9-11(28)2/h7,10-11,14H,3-6,8-9H2,1-2H3,(H2,21,22,23)
InChIKeyPXERPZQUMMXALS-UHFFFAOYSA-N
XLogP1.30
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine (CID 121334493) is 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine is CC1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2C)n1.
What is the InChIKey of 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine?
The InChIKey is PXERPZQUMMXALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N8O2/c1-10-8-29-5-3-27(10)17-24-15(12-7-22-16(21)23-13(12)14(19)20)25-18(26-17)28-4-6-30-9-11(28)2/h7,10-11,14H,3-6,8-9H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine?
5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine has a molecular weight of 422.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 121334493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).