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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide
CID 150776711
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
CID 90415233
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyridin-1-ium-2-yl]methyl]pyrimidine-2-carboxamide
CID 150776710
[6-(3-fluorophenyl)-5-methoxypyrazin-2-yl]methanamine
CID 83850538
[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol
CID 90416407
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile
CID 151067245
5-[[6-(difluoromethoxy)-5-(3-propan-2-yloxyphenyl)-2-propyl-3-pyridinyl]methyl]pyrimidin-2-amine
CID 123507437
5-[1-[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]ethyl]-1H-1,2,4-triazole-3-carboxylic acid
CID 175132074
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62653135
2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 156623675
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
[1-[[5-[3-(difluoromethoxy)phenyl]-6-ethoxy-3-pyridinyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 90414911

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).