3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine

C20H16F4N8O — CID 71079822

IUPAC3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCOc1nc(Nc2ccnc3nc(-c4ncncc4CF)cnc23)ncc1C(F)(F)F
InChIInChI=1S/C20H16F4N8O/c1-2-5-33-18-12(20(22,23)24)8-28-19(32-18)31-13-3-4-26-17-16(13)27-9-14(30-17)15-11(6-21)7-25-10-29-15/h3-4,7-10H,2,5-6H2,1H3,(H,26,28,30,31,32)
InChIKeyMYMNCIBOXVSTGA-UHFFFAOYSA-N
MW460.40 g/mol
LogP4.29
Rot. Bonds7

About 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine

3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 71079822) has the molecular formula C20H16F4N8O and a molecular weight of 460.40 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID71079822
Molecular FormulaC20H16F4N8O
Molecular Weight460.40 g/mol
Exact Mass460.14
IUPAC Name3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCOc1nc(Nc2ccnc3nc(-c4ncncc4CF)cnc23)ncc1C(F)(F)F
InChIInChI=1S/C20H16F4N8O/c1-2-5-33-18-12(20(22,23)24)8-28-19(32-18)31-13-3-4-26-17-16(13)27-9-14(30-17)15-11(6-21)7-25-10-29-15/h3-4,7-10H,2,5-6H2,1H3,(H,26,28,30,31,32)
InChIKeyMYMNCIBOXVSTGA-UHFFFAOYSA-N
XLogP4.29
TPSA111.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine (CID 71079822) is 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine is CCCOc1nc(Nc2ccnc3nc(-c4ncncc4CF)cnc23)ncc1C(F)(F)F.
What is the InChIKey of 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is MYMNCIBOXVSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N8O/c1-2-5-33-18-12(20(22,23)24)8-28-19(32-18)31-13-3-4-26-17-16(13)27-9-14(30-17)15-11(6-21)7-25-10-29-15/h3-4,7-10H,2,5-6H2,1H3,(H,26,28,30,31,32).
What are the key properties of 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine?
3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 460.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 71079822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).