1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C22H26N4O3 — CID 110270243

IUPAC1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(Oc2ccccc2C)nc(C2CCCN2C(=O)CN2CCCC2=O)n1
InChIInChI=1S/C22H26N4O3/c1-15-7-3-4-9-18(15)29-19-13-16(2)23-22(24-19)17-8-5-12-26(17)21(28)14-25-11-6-10-20(25)27/h3-4,7,9,13,17H,5-6,8,10-12,14H2,1-2H3
InChIKeyKJRKQXSMPJIPSY-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.17
Rot. Bonds5

About 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 110270243) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID110270243
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(Oc2ccccc2C)nc(C2CCCN2C(=O)CN2CCCC2=O)n1
InChIInChI=1S/C22H26N4O3/c1-15-7-3-4-9-18(15)29-19-13-16(2)23-22(24-19)17-8-5-12-26(17)21(28)14-25-11-6-10-20(25)27/h3-4,7,9,13,17H,5-6,8,10-12,14H2,1-2H3
InChIKeyKJRKQXSMPJIPSY-UHFFFAOYSA-N
XLogP3.17
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95843955
[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95844097
2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 110256239
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556
(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270227
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
cyclopropyl-[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95843562
2-amino-1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95844195
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
1-[2-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124974089

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 110270243) is 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is Cc1cc(Oc2ccccc2C)nc(C2CCCN2C(=O)CN2CCCC2=O)n1.
What is the InChIKey of 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is KJRKQXSMPJIPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-7-3-4-9-18(15)29-19-13-16(2)23-22(24-19)17-8-5-12-26(17)21(28)14-25-11-6-10-20(25)27/h3-4,7,9,13,17H,5-6,8,10-12,14H2,1-2H3.
What are the key properties of 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 110270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).