1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one

C15H14ClN3O2 — CID 142612616

IUPAC1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
SMILESCOc1nc(Cl)ncc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H14ClN3O2/c1-21-14-12(9-17-15(16)18-14)10-4-6-11(7-5-10)19-8-2-3-13(19)20/h4-7,9H,2-3,8H2,1H3
InChIKeyKJRCUOBOLWVNLK-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.93
Rot. Bonds3

About 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one

1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 142612616) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
PubChem CID142612616
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
SMILESCOc1nc(Cl)ncc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H14ClN3O2/c1-21-14-12(9-17-15(16)18-14)10-4-6-11(7-5-10)19-8-2-3-13(19)20/h4-7,9H,2-3,8H2,1H3
InChIKeyKJRCUOBOLWVNLK-UHFFFAOYSA-N
XLogP2.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]-4-methoxypyrimidin-5-yl]phenyl]pyrrolidin-2-one
CID 155387263
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 138538803
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
CID 166365330
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
CID 26053591
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one (CID 142612616) is 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one is COc1nc(Cl)ncc1-c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is KJRCUOBOLWVNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-21-14-12(9-17-15(16)18-14)10-4-6-11(7-5-10)19-8-2-3-13(19)20/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 303.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 142612616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).