2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone

C19H24N4O2 — CID 131657179

IUPAC2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
SMILESCC(C)Nc1ccnc(C2COCCN2C(=O)Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-14(2)21-17-8-9-20-19(22-17)16-13-25-11-10-23(16)18(24)12-15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,20,21,22)
InChIKeyBISMQFAZBFQBEP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.44
Rot. Bonds5

About 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone

2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone (PubChem CID 131657179) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
PubChem CID131657179
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
SMILESCC(C)Nc1ccnc(C2COCCN2C(=O)Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-14(2)21-17-8-9-20-19(22-17)16-13-25-11-10-23(16)18(24)12-15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,20,21,22)
InChIKeyBISMQFAZBFQBEP-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
[(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-[4-[(2-fluorophenyl)methyl]morpholin-3-yl]-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844716
1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 131638506
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
1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97487080
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
2-(4-cyclopentylmorpholin-3-yl)-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840555

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone (CID 131657179) is 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone is CC(C)Nc1ccnc(C2COCCN2C(=O)Cc2ccccc2)n1.
What is the InChIKey of 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
The InChIKey is BISMQFAZBFQBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)21-17-8-9-20-19(22-17)16-13-25-11-10-23(16)18(24)12-15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H,20,21,22).
What are the key properties of 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone?
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 131657179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).