1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one

C21H27N5O2 — CID 167806026

IUPAC1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(Nc2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C21H27N5O2/c27-20(7-6-17-4-2-1-3-5-17)26-11-9-18(16-26)23-19-8-10-22-21(24-19)25-12-14-28-15-13-25/h1-5,8,10,18H,6-7,9,11-16H2,(H,22,23,24)
InChIKeyRUYMBNNJAFLXST-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.96
Rot. Bonds6

About 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 167806026) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID167806026
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(Nc2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C21H27N5O2/c27-20(7-6-17-4-2-1-3-5-17)26-11-9-18(16-26)23-19-8-10-22-21(24-19)25-12-14-28-15-13-25/h1-5,8,10,18H,6-7,9,11-16H2,(H,22,23,24)
InChIKeyRUYMBNNJAFLXST-UHFFFAOYSA-N
XLogP1.96
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

1-[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 133472372
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
1-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 75379024
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
CID 167905138
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 175650740
2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide
CID 71854795
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902467
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 167806026) is 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(Nc2ccnc(N3CCOCC3)n2)C1.
What is the InChIKey of 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RUYMBNNJAFLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20(7-6-17-4-2-1-3-5-17)26-11-9-18(16-26)23-19-8-10-22-21(24-19)25-12-14-28-15-13-25/h1-5,8,10,18H,6-7,9,11-16H2,(H,22,23,24).
What are the key properties of 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 381.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 167806026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).