2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one

C25H27FN4O2 — CID 46888923

IUPAC2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O)C(C)C
InChIInChI=1S/C25H27FN4O2/c1-14(2)30(15(3)4)11-12-32-18-9-10-19-20(13-18)23-21(24(19)31)22(28-25(27)29-23)16-5-7-17(26)8-6-16/h5-10,13-15H,11-12H2,1-4H3,(H2,27,28,29)
InChIKeyXPWXTSNMGCRLTD-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.57
Rot. Bonds7

About 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one

2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888923) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888923
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O)C(C)C
InChIInChI=1S/C25H27FN4O2/c1-14(2)30(15(3)4)11-12-32-18-9-10-19-20(13-18)23-21(24(19)31)22(28-25(27)29-23)16-5-7-17(26)8-6-16/h5-10,13-15H,11-12H2,1-4H3,(H2,27,28,29)
InChIKeyXPWXTSNMGCRLTD-UHFFFAOYSA-N
XLogP4.57
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (CID 46888923) is 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is CC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O)C(C)C.
What is the InChIKey of 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is XPWXTSNMGCRLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-14(2)30(15(3)4)11-12-32-18-9-10-19-20(13-18)23-21(24(19)31)22(28-25(27)29-23)16-5-7-17(26)8-6-16/h5-10,13-15H,11-12H2,1-4H3,(H2,27,28,29).
What are the key properties of 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 434.52 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-[di(propan-2-yl)amino]ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).