3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol

C25H31FN8O2 — CID 25073590

IUPAC3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(C3CCCN(c4ncc(F)c(N5CCOCC5)n4)N3)nc2)c1
InChIInChI=1S/C25H31FN8O2/c1-32(2)19-12-18(13-20(35)14-19)29-17-5-6-22(27-15-17)23-4-3-7-34(31-23)25-28-16-21(26)24(30-25)33-8-10-36-11-9-33/h5-6,12-16,23,29,31,35H,3-4,7-11H2,1-2H3
InChIKeyLTKNQQCVQCWPHE-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.21
Rot. Bonds6

About 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol

3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol (PubChem CID 25073590) has the molecular formula C25H31FN8O2 and a molecular weight of 494.58 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol
PubChem CID25073590
Molecular FormulaC25H31FN8O2
Molecular Weight494.58 g/mol
Exact Mass494.26
IUPAC Name3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(C3CCCN(c4ncc(F)c(N5CCOCC5)n4)N3)nc2)c1
InChIInChI=1S/C25H31FN8O2/c1-32(2)19-12-18(13-20(35)14-19)29-17-5-6-22(27-15-17)23-4-3-7-34(31-23)25-28-16-21(26)24(30-25)33-8-10-36-11-9-33/h5-6,12-16,23,29,31,35H,3-4,7-11H2,1-2H3
InChIKeyLTKNQQCVQCWPHE-UHFFFAOYSA-N
XLogP3.21
TPSA101.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol?
The IUPAC name of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol (CID 25073590) is 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol.
What is the SMILES notation for 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol?
The canonical SMILES for 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol is CN(C)c1cc(O)cc(Nc2ccc(C3CCCN(c4ncc(F)c(N5CCOCC5)n4)N3)nc2)c1.
What is the InChIKey of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol?
The InChIKey is LTKNQQCVQCWPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN8O2/c1-32(2)19-12-18(13-20(35)14-19)29-17-5-6-22(27-15-17)23-4-3-7-34(31-23)25-28-16-21(26)24(30-25)33-8-10-36-11-9-33/h5-6,12-16,23,29,31,35H,3-4,7-11H2,1-2H3.
What are the key properties of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol?
3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol has a molecular weight of 494.58 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazinan-3-yl]-3-pyridinyl]amino]phenol is sourced from PubChem (CID 25073590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).