5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide

C18H15F2N5O3 — CID 90415667

IUPAC5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide
SMILESCOc1ncc(Cc2cnc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C18H15F2N5O3/c1-27-17-14(11-3-2-4-13(6-11)28-18(19)20)25-12(9-24-17)5-10-7-22-16(15(21)26)23-8-10/h2-4,6-9,18H,5H2,1H3,(H2,21,26)
InChIKeyLSBUIVVYLFRXIZ-UHFFFAOYSA-N
MW387.35 g/mol
LogP2.23
Rot. Bonds7

About 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide

5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide (PubChem CID 90415667) has the molecular formula C18H15F2N5O3 and a molecular weight of 387.35 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide
PubChem CID90415667
Molecular FormulaC18H15F2N5O3
Molecular Weight387.35 g/mol
Exact Mass387.11
IUPAC Name5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide
SMILESCOc1ncc(Cc2cnc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C18H15F2N5O3/c1-27-17-14(11-3-2-4-13(6-11)28-18(19)20)25-12(9-24-17)5-10-7-22-16(15(21)26)23-8-10/h2-4,6-9,18H,5H2,1H3,(H2,21,26)
InChIKeyLSBUIVVYLFRXIZ-UHFFFAOYSA-N
XLogP2.23
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide (CID 90415667) is 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide is COc1ncc(Cc2cnc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide?
The InChIKey is LSBUIVVYLFRXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O3/c1-27-17-14(11-3-2-4-13(6-11)28-18(19)20)25-12(9-24-17)5-10-7-22-16(15(21)26)23-8-10/h2-4,6-9,18H,5H2,1H3,(H2,21,26).
What are the key properties of 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide?
5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide has a molecular weight of 387.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 90415667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).