1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea

C16H15FN6O2 — CID 10291088

IUPAC1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc2cnc(Nc3ccc(F)cc3)nc2n1
InChIInChI=1S/C16H15FN6O2/c17-11-2-4-12(5-3-11)20-15-19-9-10-1-6-13(21-14(10)23-15)22-16(25)18-7-8-24/h1-6,9,24H,7-8H2,(H3,18,19,20,21,22,23,25)
InChIKeyOAZKKGFIMGBLNP-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea

1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea (PubChem CID 10291088) has the molecular formula C16H15FN6O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea
PubChem CID10291088
Molecular FormulaC16H15FN6O2
Molecular Weight342.33 g/mol
Exact Mass342.12
IUPAC Name1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc2cnc(Nc3ccc(F)cc3)nc2n1
InChIInChI=1S/C16H15FN6O2/c17-11-2-4-12(5-3-11)20-15-19-9-10-1-6-13(21-14(10)23-15)22-16(25)18-7-8-24/h1-6,9,24H,7-8H2,(H3,18,19,20,21,22,23,25)
InChIKeyOAZKKGFIMGBLNP-UHFFFAOYSA-N
XLogP2.02
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea (CID 10291088) is 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc2cnc(Nc3ccc(F)cc3)nc2n1.
What is the InChIKey of 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is OAZKKGFIMGBLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O2/c17-11-2-4-12(5-3-11)20-15-19-9-10-1-6-13(21-14(10)23-15)22-16(25)18-7-8-24/h1-6,9,24H,7-8H2,(H3,18,19,20,21,22,23,25).
What are the key properties of 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea?
1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 342.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 10291088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).