5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C25H27F3N6O2 — CID 70660461

IUPAC5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3cccc(OC4CCNCC4)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H27F3N6O2/c26-25(27,28)20-13-23(29)31-15-19(20)22-14-21(32-24(33-22)34-8-10-35-11-9-34)16-2-1-3-18(12-16)36-17-4-6-30-7-5-17/h1-3,12-15,17,30H,4-11H2,(H2,29,31)
InChIKeyAOTPLVDRMPZVJE-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.77
Rot. Bonds5

About 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 70660461) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.53 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID70660461
Molecular FormulaC25H27F3N6O2
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC Name5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3cccc(OC4CCNCC4)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H27F3N6O2/c26-25(27,28)20-13-23(29)31-15-19(20)22-14-21(32-24(33-22)34-8-10-35-11-9-34)16-2-1-3-18(12-16)36-17-4-6-30-7-5-17/h1-3,12-15,17,30H,4-11H2,(H2,29,31)
InChIKeyAOTPLVDRMPZVJE-UHFFFAOYSA-N
XLogP3.77
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 70660461) is 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(-c3cccc(OC4CCNCC4)c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AOTPLVDRMPZVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c26-25(27,28)20-13-23(29)31-15-19(20)22-14-21(32-24(33-22)34-8-10-35-11-9-34)16-2-1-3-18(12-16)36-17-4-6-30-7-5-17/h1-3,12-15,17,30H,4-11H2,(H2,29,31).
What are the key properties of 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 500.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-(3-piperidin-4-yloxyphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 70660461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).