4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine

C19H16F2N4O2 — CID 22060278

IUPAC4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(F)c(Nc2ncc(F)c(Nc3ccc4c(c3)OCCO4)n2)c1
InChIInChI=1S/C19H16F2N4O2/c1-11-2-4-13(20)15(8-11)24-19-22-10-14(21)18(25-19)23-12-3-5-16-17(9-12)27-7-6-26-16/h2-5,8-10H,6-7H2,1H3,(H2,22,23,24,25)
InChIKeyKNQUDRIWXBBIGY-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.32
Rot. Bonds4

About 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 22060278) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine
PubChem CID22060278
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(F)c(Nc2ncc(F)c(Nc3ccc4c(c3)OCCO4)n2)c1
InChIInChI=1S/C19H16F2N4O2/c1-11-2-4-13(20)15(8-11)24-19-22-10-14(21)18(25-19)23-12-3-5-16-17(9-12)27-7-6-26-16/h2-5,8-10H,6-7H2,1H3,(H2,22,23,24,25)
InChIKeyKNQUDRIWXBBIGY-UHFFFAOYSA-N
XLogP4.32
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine (CID 22060278) is 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(F)c(Nc2ncc(F)c(Nc3ccc4c(c3)OCCO4)n2)c1.
What is the InChIKey of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is KNQUDRIWXBBIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-11-2-4-13(20)15(8-11)24-19-22-10-14(21)18(25-19)23-12-3-5-16-17(9-12)27-7-6-26-16/h2-5,8-10H,6-7H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine?
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 370.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(2-fluoro-5-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 22060278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).