2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide

C24H24FN5O4 — CID 71283734

IUPAC2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(=O)N1CCOCC1
InChIInChI=1S/C24H24FN5O4/c1-15(24(32)30-10-12-33-13-11-30)27-21-14-20(22(26)31)28-23(29-21)16-2-6-18(7-3-16)34-19-8-4-17(25)5-9-19/h2-9,14-15H,10-13H2,1H3,(H2,26,31)(H,27,28,29)/t15-/m0/s1
InChIKeyGZXJWMRVNFYKOB-HNNXBMFYSA-N
MW465.49 g/mol
LogP2.83
Rot. Bonds7

About 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide

2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide (PubChem CID 71283734) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide
PubChem CID71283734
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(=O)N1CCOCC1
InChIInChI=1S/C24H24FN5O4/c1-15(24(32)30-10-12-33-13-11-30)27-21-14-20(22(26)31)28-23(29-21)16-2-6-18(7-3-16)34-19-8-4-17(25)5-9-19/h2-9,14-15H,10-13H2,1H3,(H2,26,31)(H,27,28,29)/t15-/m0/s1
InChIKeyGZXJWMRVNFYKOB-HNNXBMFYSA-N
XLogP2.83
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide (CID 71283734) is 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide is C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide?
The InChIKey is GZXJWMRVNFYKOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-15(24(32)30-10-12-33-13-11-30)27-21-14-20(22(26)31)28-23(29-21)16-2-6-18(7-3-16)34-19-8-4-17(25)5-9-19/h2-9,14-15H,10-13H2,1H3,(H2,26,31)(H,27,28,29)/t15-/m0/s1.
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide?
2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 71283734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).