2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide

C22H27N5O4 — CID 92619551

IUPAC2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C22H27N5O4/c28-20(25-16-5-2-1-3-6-16)17-15-24-22(27-10-13-30-14-11-27)26-18(17)8-9-23-21(29)19-7-4-12-31-19/h1-3,5-6,15,19H,4,7-14H2,(H,23,29)(H,25,28)/t19-/m0/s1
InChIKeyXOEFGISFHLIBSY-IBGZPJMESA-N
MW425.49 g/mol
LogP1.40
Rot. Bonds7

About 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide

2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 92619551) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
PubChem CID92619551
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C22H27N5O4/c28-20(25-16-5-2-1-3-6-16)17-15-24-22(27-10-13-30-14-11-27)26-18(17)8-9-23-21(29)19-7-4-12-31-19/h1-3,5-6,15,19H,4,7-14H2,(H,23,29)(H,25,28)/t19-/m0/s1
InChIKeyXOEFGISFHLIBSY-IBGZPJMESA-N
XLogP1.40
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 92619545
4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 95812403
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide
CID 95812385
N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide
CID 95816321
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 75538788
2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
CID 92618749
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
N-phenyloxolane-2-carboxamide
CID 3453643

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide (CID 92619551) is 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)[C@@H]1CCCO1.
What is the InChIKey of 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is XOEFGISFHLIBSY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5O4/c28-20(25-16-5-2-1-3-6-16)17-15-24-22(27-10-13-30-14-11-27)26-18(17)8-9-23-21(29)19-7-4-12-31-19/h1-3,5-6,15,19H,4,7-14H2,(H,23,29)(H,25,28)/t19-/m0/s1.
What are the key properties of 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide?
2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92619551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).