phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone

C18H22N4O2 — CID 133140572

IUPACphenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESCC(C)Nc1ccnc(C2COCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-13(2)20-16-8-9-19-17(21-16)15-12-24-11-10-22(15)18(23)14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3,(H,19,20,21)
InChIKeyDNNZAJPZEJSXSU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

About phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone

phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone (PubChem CID 133140572) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
PubChem CID133140572
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namephenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESCC(C)Nc1ccnc(C2COCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-13(2)20-16-8-9-19-17(21-16)15-12-24-11-10-22(15)18(23)14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3,(H,19,20,21)
InChIKeyDNNZAJPZEJSXSU-UHFFFAOYSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97487080
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 131644722
2-(4-cyclopentylmorpholin-3-yl)-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840555
2-[4-[(2-fluorophenyl)methyl]morpholin-3-yl]-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844716
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 131638506

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone (CID 133140572) is phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone is CC(C)Nc1ccnc(C2COCCN2C(=O)c2ccccc2)n1.
What is the InChIKey of phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
The InChIKey is DNNZAJPZEJSXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)20-16-8-9-19-17(21-16)15-12-24-11-10-22(15)18(23)14-6-4-3-5-7-14/h3-9,13,15H,10-12H2,1-2H3,(H,19,20,21).
What are the key properties of phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 133140572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).