4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one

C20H22N6O3 — CID 67109713

IUPAC4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one
SMILESC[C@H](O)CNc1nccc(-n2ccnc2-c2ccc(N3CCOCC3=O)cc2)n1
InChIInChI=1S/C20H22N6O3/c1-14(27)12-23-20-22-7-6-17(24-20)26-9-8-21-19(26)15-2-4-16(5-3-15)25-10-11-29-13-18(25)28/h2-9,14,27H,10-13H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeyLXUJRBDFMOIBTB-AWEZNQCLSA-N
MW394.44 g/mol
LogP1.49
Rot. Bonds6

About 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one

4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one (PubChem CID 67109713) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one
PubChem CID67109713
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one
SMILESC[C@H](O)CNc1nccc(-n2ccnc2-c2ccc(N3CCOCC3=O)cc2)n1
InChIInChI=1S/C20H22N6O3/c1-14(27)12-23-20-22-7-6-17(24-20)26-9-8-21-19(26)15-2-4-16(5-3-15)25-10-11-29-13-18(25)28/h2-9,14,27H,10-13H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeyLXUJRBDFMOIBTB-AWEZNQCLSA-N
XLogP1.49
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one (CID 67109713) is 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one is C[C@H](O)CNc1nccc(-n2ccnc2-c2ccc(N3CCOCC3=O)cc2)n1.
What is the InChIKey of 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one?
The InChIKey is LXUJRBDFMOIBTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-14(27)12-23-20-22-7-6-17(24-20)26-9-8-21-19(26)15-2-4-16(5-3-15)25-10-11-29-13-18(25)28/h2-9,14,27H,10-13H2,1H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one?
4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one has a molecular weight of 394.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 67109713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).