[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C25H28N4O2 — CID 134075406

IUPAC[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)CC(C)O1
InChIInChI=1S/C25H28N4O2/c1-17-13-29(14-18(2)31-17)25(30)23-10-21(16-28(23)15-19-8-9-19)22-11-26-24(27-12-22)20-6-4-3-5-7-20/h3-7,10-12,16-19H,8-9,13-15H2,1-2H3
InChIKeyUWNZLQARZIHKRW-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.27
Rot. Bonds5

About [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 134075406) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID134075406
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)CC(C)O1
InChIInChI=1S/C25H28N4O2/c1-17-13-29(14-18(2)31-17)25(30)23-10-21(16-28(23)15-19-8-9-19)22-11-26-24(27-12-22)20-6-4-3-5-7-20/h3-7,10-12,16-19H,8-9,13-15H2,1-2H3
InChIKeyUWNZLQARZIHKRW-UHFFFAOYSA-N
XLogP4.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134078522
(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone
CID 131660689
1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443243
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 131646369
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
1-(cyclopropylmethyl)-N-(2-pyridin-3-ylethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155857062
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041
1-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824722
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 134075406) is [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)CC(C)O1.
What is the InChIKey of [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is UWNZLQARZIHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-13-29(14-18(2)31-17)25(30)23-10-21(16-28(23)15-19-8-9-19)22-11-26-24(27-12-22)20-6-4-3-5-7-20/h3-7,10-12,16-19H,8-9,13-15H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 416.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 134075406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).