1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one

C22H23N5O — CID 126771367

IUPAC1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccncc2)nc(NCc2cccc(N3CCCC3=O)c2)c1C
InChIInChI=1S/C22H23N5O/c1-15-16(2)25-22(18-8-10-23-11-9-18)26-21(15)24-14-17-5-3-6-19(13-17)27-12-4-7-20(27)28/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,24,25,26)
InChIKeyWYWMZMHVSNTOBU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one

1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 126771367) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID126771367
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccncc2)nc(NCc2cccc(N3CCCC3=O)c2)c1C
InChIInChI=1S/C22H23N5O/c1-15-16(2)25-22(18-8-10-23-11-9-18)26-21(15)24-14-17-5-3-6-19(13-17)27-12-4-7-20(27)28/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,24,25,26)
InChIKeyWYWMZMHVSNTOBU-UHFFFAOYSA-N
XLogP3.89
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 99632936
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 92607033
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one (CID 126771367) is 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one is Cc1nc(-c2ccncc2)nc(NCc2cccc(N3CCCC3=O)c2)c1C.
What is the InChIKey of 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is WYWMZMHVSNTOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-16(2)25-22(18-8-10-23-11-9-18)26-21(15)24-14-17-5-3-6-19(13-17)27-12-4-7-20(27)28/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,24,25,26).
What are the key properties of 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one?
1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 126771367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).