N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine

C25H24F2N8O2 — CID 59486233

IUPACN-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine
SMILESCOc1ccc(F)c(Nc2nccnc2-c2cc(Nc3cc(CN4CCOCC4)ccn3)ncn2)c1F
InChIInChI=1S/C25H24F2N8O2/c1-36-19-3-2-17(26)23(22(19)27)34-25-24(29-6-7-30-25)18-13-21(32-15-31-18)33-20-12-16(4-5-28-20)14-35-8-10-37-11-9-35/h2-7,12-13,15H,8-11,14H2,1H3,(H,30,34)(H,28,31,32,33)
InChIKeyYKLFRTKTQNBSNA-UHFFFAOYSA-N
MW506.52 g/mol
LogP3.93
Rot. Bonds8

About N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine

N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine (PubChem CID 59486233) has the molecular formula C25H24F2N8O2 and a molecular weight of 506.52 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine
PubChem CID59486233
Molecular FormulaC25H24F2N8O2
Molecular Weight506.52 g/mol
Exact Mass506.20
IUPAC NameN-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine
SMILESCOc1ccc(F)c(Nc2nccnc2-c2cc(Nc3cc(CN4CCOCC4)ccn3)ncn2)c1F
InChIInChI=1S/C25H24F2N8O2/c1-36-19-3-2-17(26)23(22(19)27)34-25-24(29-6-7-30-25)18-13-21(32-15-31-18)33-20-12-16(4-5-28-20)14-35-8-10-37-11-9-35/h2-7,12-13,15H,8-11,14H2,1H3,(H,30,34)(H,28,31,32,33)
InChIKeyYKLFRTKTQNBSNA-UHFFFAOYSA-N
XLogP3.93
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine?
The IUPAC name of N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine (CID 59486233) is N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine?
The canonical SMILES for N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine is COc1ccc(F)c(Nc2nccnc2-c2cc(Nc3cc(CN4CCOCC4)ccn3)ncn2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine?
The InChIKey is YKLFRTKTQNBSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O2/c1-36-19-3-2-17(26)23(22(19)27)34-25-24(29-6-7-30-25)18-13-21(32-15-31-18)33-20-12-16(4-5-28-20)14-35-8-10-37-11-9-35/h2-7,12-13,15H,8-11,14H2,1H3,(H,30,34)(H,28,31,32,33).
What are the key properties of N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine?
N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine has a molecular weight of 506.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methoxyphenyl)-3-[6-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 59486233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).