5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine

C30H24Cl2F4N8O2 — CID 139430060

IUPAC5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(C5=NCC(F)(F)CN5)c(OC)n4)c3Cl)c2Cl)cnc1C1=NCC(F)(F)CN1
InChIInChI=1S/C30H24Cl2F4N8O2/c1-45-27-23(25-39-11-29(33,34)12-40-25)37-9-19(43-27)17-7-3-5-15(21(17)31)16-6-4-8-18(22(16)32)20-10-38-24(28(44-20)46-2)26-41-13-30(35,36)14-42-26/h3-10H,11-14H2,1-2H3,(H,39,40)(H,41,42)
InChIKeyINZFASUJDYNMCK-UHFFFAOYSA-N
MW675.47 g/mol
LogP5.56
Rot. Bonds7

About 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine

5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine (PubChem CID 139430060) has the molecular formula C30H24Cl2F4N8O2 and a molecular weight of 675.47 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine.

Molecular Properties

Compound Name5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine
PubChem CID139430060
Molecular FormulaC30H24Cl2F4N8O2
Molecular Weight675.47 g/mol
Exact Mass674.13
IUPAC Name5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(C5=NCC(F)(F)CN5)c(OC)n4)c3Cl)c2Cl)cnc1C1=NCC(F)(F)CN1
InChIInChI=1S/C30H24Cl2F4N8O2/c1-45-27-23(25-39-11-29(33,34)12-40-25)37-9-19(43-27)17-7-3-5-15(21(17)31)16-6-4-8-18(22(16)32)20-10-38-24(28(44-20)46-2)26-41-13-30(35,36)14-42-26/h3-10H,11-14H2,1-2H3,(H,39,40)(H,41,42)
InChIKeyINZFASUJDYNMCK-UHFFFAOYSA-N
XLogP5.56
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.47
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine?
The IUPAC name of 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine (CID 139430060) is 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine.
What is the SMILES notation for 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine?
The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine is COc1nc(-c2cccc(-c3cccc(-c4cnc(C5=NCC(F)(F)CN5)c(OC)n4)c3Cl)c2Cl)cnc1C1=NCC(F)(F)CN1.
What is the InChIKey of 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine?
The InChIKey is INZFASUJDYNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2F4N8O2/c1-45-27-23(25-39-11-29(33,34)12-40-25)37-9-19(43-27)17-7-3-5-15(21(17)31)16-6-4-8-18(22(16)32)20-10-38-24(28(44-20)46-2)26-41-13-30(35,36)14-42-26/h3-10H,11-14H2,1-2H3,(H,39,40)(H,41,42).
What are the key properties of 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine?
5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine has a molecular weight of 675.47 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-[2-chloro-3-[5-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-methoxypyrazin-2-yl]phenyl]phenyl]-2-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-3-methoxypyrazine is sourced from PubChem (CID 139430060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).