N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

C17H15FN4O2 — CID 166180037

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFc1cc(CCNc2ncnc3ncccc23)c2c(c1)COCO2
InChIInChI=1S/C17H15FN4O2/c18-13-6-11(15-12(7-13)8-23-10-24-15)3-5-20-17-14-2-1-4-19-16(14)21-9-22-17/h1-2,4,6-7,9H,3,5,8,10H2,(H,19,20,21,22)
InChIKeyYVUGDILTWZFCSC-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 166180037) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID166180037
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFc1cc(CCNc2ncnc3ncccc23)c2c(c1)COCO2
InChIInChI=1S/C17H15FN4O2/c18-13-6-11(15-12(7-13)8-23-10-24-15)3-5-20-17-14-2-1-4-19-16(14)21-9-22-17/h1-2,4,6-7,9H,3,5,8,10H2,(H,19,20,21,22)
InChIKeyYVUGDILTWZFCSC-UHFFFAOYSA-N
XLogP2.68
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 166180037) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is Fc1cc(CCNc2ncnc3ncccc23)c2c(c1)COCO2.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is YVUGDILTWZFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-13-6-11(15-12(7-13)8-23-10-24-15)3-5-20-17-14-2-1-4-19-16(14)21-9-22-17/h1-2,4,6-7,9H,3,5,8,10H2,(H,19,20,21,22).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 326.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166180037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).