[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C22H21N3O2 — CID 42670223

IUPAC[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C22H21N3O2/c1-16-9-5-6-12-19(16)27-21-18(22(26)25-13-7-8-14-25)15-23-20(24-21)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKeyPTQPUVLPAUVVKR-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.48
Rot. Bonds4

About [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42670223) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42670223
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C22H21N3O2/c1-16-9-5-6-12-19(16)27-21-18(22(26)25-13-7-8-14-25)15-23-20(24-21)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKeyPTQPUVLPAUVVKR-UHFFFAOYSA-N
XLogP4.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670092
[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 46111454
[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone
CID 42882396
ethyl 1-[4-(4-methylphenoxy)-2-phenylpyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 42670111
4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid
CID 11855343
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
ethyl (3S)-1-[2-(4-methoxyphenyl)-4-phenoxypyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93138214
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
[4-(1,3-benzodioxol-5-yloxy)-2-(4-methoxyphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670468
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid
CID 11856159
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 42670223) is [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)N1CCCC1.
What is the InChIKey of [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PTQPUVLPAUVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-9-5-6-12-19(16)27-21-18(22(26)25-13-7-8-14-25)15-23-20(24-21)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3.
What are the key properties of [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42670223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).