4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol

C19H18FN5O2 — CID 10474121

IUPAC4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
SMILESOc1ccc(F)c(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18FN5O2/c20-16-4-3-14(26)10-15(16)17-11-18(22-13-2-1-5-21-12-13)24-19(23-17)25-6-8-27-9-7-25/h1-5,10-12,26H,6-9H2,(H,22,23,24)
InChIKeyRTYXVOBERMFQHK-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.96
Rot. Bonds4

About 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol

4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol (PubChem CID 10474121) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
PubChem CID10474121
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
SMILESOc1ccc(F)c(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18FN5O2/c20-16-4-3-14(26)10-15(16)17-11-18(22-13-2-1-5-21-12-13)24-19(23-17)25-6-8-27-9-7-25/h1-5,10-12,26H,6-9H2,(H,22,23,24)
InChIKeyRTYXVOBERMFQHK-UHFFFAOYSA-N
XLogP2.96
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol (CID 10474121) is 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol is Oc1ccc(F)c(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
The InChIKey is RTYXVOBERMFQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-16-4-3-14(26)10-15(16)17-11-18(22-13-2-1-5-21-12-13)24-19(23-17)25-6-8-27-9-7-25/h1-5,10-12,26H,6-9H2,(H,22,23,24).
What are the key properties of 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol has a molecular weight of 367.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 10474121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).