6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C22H20F2N4O2 — CID 20960604

IUPAC6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESFc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c(F)c1
InChIInChI=1S/C22H20F2N4O2/c23-16-2-1-14(18(24)9-16)12-28-6-5-19-15(13-28)11-25-22(27-19)26-17-3-4-20-21(10-17)30-8-7-29-20/h1-4,9-11H,5-8,12-13H2,(H,25,26,27)
InChIKeyKBQNWBRGVYNGGZ-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.83
Rot. Bonds4

About 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960604) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960604
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESFc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c(F)c1
InChIInChI=1S/C22H20F2N4O2/c23-16-2-1-14(18(24)9-16)12-28-6-5-19-15(13-28)11-25-22(27-19)26-17-3-4-20-21(10-17)30-8-7-29-20/h1-4,9-11H,5-8,12-13H2,(H,25,26,27)
InChIKeyKBQNWBRGVYNGGZ-UHFFFAOYSA-N
XLogP3.83
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960604) is 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Fc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)c(F)c1.
What is the InChIKey of 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is KBQNWBRGVYNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c23-16-2-1-14(18(24)9-16)12-28-6-5-19-15(13-28)11-25-22(27-19)26-17-3-4-20-21(10-17)30-8-7-29-20/h1-4,9-11H,5-8,12-13H2,(H,25,26,27).
What are the key properties of 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 410.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).