5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C18H21F3N6O3 — CID 59507680

IUPAC5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N6O3/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(30-11-1-5-28-6-2-11)25-17(24-13)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23,26)
InChIKeyXMHIBEZUMJDNJA-UHFFFAOYSA-N
MW426.40 g/mol
LogP1.93
Rot. Bonds4

About 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 59507680) has the molecular formula C18H21F3N6O3 and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID59507680
Molecular FormulaC18H21F3N6O3
Molecular Weight426.40 g/mol
Exact Mass426.16
IUPAC Name5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N6O3/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(30-11-1-5-28-6-2-11)25-17(24-13)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23,26)
InChIKeyXMHIBEZUMJDNJA-UHFFFAOYSA-N
XLogP1.93
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 59507680) is 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XMHIBEZUMJDNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O3/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(30-11-1-5-28-6-2-11)25-17(24-13)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23,26).
What are the key properties of 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 426.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 59507680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).