3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine

C18H18F5N5O2 — CID 144739968

IUPAC3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(C3(C(F)(F)F)CC3)n2)cc1OC(F)F
InChIInChI=1S/C18H18F5N5O2/c19-16(20)30-12-7-10(9-25-14(12)24)11-8-13(28-3-5-29-6-4-28)27-15(26-11)17(1-2-17)18(21,22)23/h7-9,16H,1-6H2,(H2,24,25)
InChIKeyDWRLUFOVRNBPOO-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.15
Rot. Bonds5

About 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine (PubChem CID 144739968) has the molecular formula C18H18F5N5O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine
PubChem CID144739968
Molecular FormulaC18H18F5N5O2
Molecular Weight431.37 g/mol
Exact Mass431.14
IUPAC Name3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(C3(C(F)(F)F)CC3)n2)cc1OC(F)F
InChIInChI=1S/C18H18F5N5O2/c19-16(20)30-12-7-10(9-25-14(12)24)11-8-13(28-3-5-29-6-4-28)27-15(26-11)17(1-2-17)18(21,22)23/h7-9,16H,1-6H2,(H2,24,25)
InChIKeyDWRLUFOVRNBPOO-UHFFFAOYSA-N
XLogP3.15
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine (CID 144739968) is 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine is Nc1ncc(-c2cc(N3CCOCC3)nc(C3(C(F)(F)F)CC3)n2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is DWRLUFOVRNBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5N5O2/c19-16(20)30-12-7-10(9-25-14(12)24)11-8-13(28-3-5-29-6-4-28)27-15(26-11)17(1-2-17)18(21,22)23/h7-9,16H,1-6H2,(H2,24,25).
What are the key properties of 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 431.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[6-morpholin-4-yl-2-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 144739968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).