N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine

C20H15F4N7O — CID 71079755

IUPACN-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine
SMILESCCOc1nc(Nc2ccnc3nc(-c4ncncc4CF)ccc23)ncc1C(F)(F)F
InChIInChI=1S/C20H15F4N7O/c1-2-32-18-13(20(22,23)24)9-27-19(31-18)30-14-5-6-26-17-12(14)3-4-15(29-17)16-11(7-21)8-25-10-28-16/h3-6,8-10H,2,7H2,1H3,(H,26,27,29,30,31)
InChIKeyFEYYVGMQIRUQLJ-UHFFFAOYSA-N
MW445.38 g/mol
LogP4.51
Rot. Bonds6

About N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine

N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine (PubChem CID 71079755) has the molecular formula C20H15F4N7O and a molecular weight of 445.38 g/mol. Its IUPAC name is N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine
PubChem CID71079755
Molecular FormulaC20H15F4N7O
Molecular Weight445.38 g/mol
Exact Mass445.13
IUPAC NameN-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine
SMILESCCOc1nc(Nc2ccnc3nc(-c4ncncc4CF)ccc23)ncc1C(F)(F)F
InChIInChI=1S/C20H15F4N7O/c1-2-32-18-13(20(22,23)24)9-27-19(31-18)30-14-5-6-26-17-12(14)3-4-15(29-17)16-11(7-21)8-25-10-28-16/h3-6,8-10H,2,7H2,1H3,(H,26,27,29,30,31)
InChIKeyFEYYVGMQIRUQLJ-UHFFFAOYSA-N
XLogP4.51
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine?
The IUPAC name of N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine (CID 71079755) is N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine?
The canonical SMILES for N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine is CCOc1nc(Nc2ccnc3nc(-c4ncncc4CF)ccc23)ncc1C(F)(F)F.
What is the InChIKey of N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine?
The InChIKey is FEYYVGMQIRUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N7O/c1-2-32-18-13(20(22,23)24)9-27-19(31-18)30-14-5-6-26-17-12(14)3-4-15(29-17)16-11(7-21)8-25-10-28-16/h3-6,8-10H,2,7H2,1H3,(H,26,27,29,30,31).
What are the key properties of N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine?
N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine has a molecular weight of 445.38 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 71079755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).