4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one

C18H22N4O — CID 56891350

IUPAC4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1ccnc(NC2CC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C18H22N4O/c1-14-9-10-19-18(20-14)21-16-12-17(23)22(13-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,19,20,21)
InChIKeyHDWPRVNCUYKGIP-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.43
Rot. Bonds6

About 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one

4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 56891350) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID56891350
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1ccnc(NC2CC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C18H22N4O/c1-14-9-10-19-18(20-14)21-16-12-17(23)22(13-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,19,20,21)
InChIKeyHDWPRVNCUYKGIP-UHFFFAOYSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 56898054
6-[[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 95712148
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 95563902
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 45234279
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 42193458
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one
CID 50966800

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (CID 56891350) is 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is Cc1ccnc(NC2CC(=O)N(CCCc3ccccc3)C2)n1.
What is the InChIKey of 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is HDWPRVNCUYKGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-9-10-19-18(20-14)21-16-12-17(23)22(13-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,19,20,21).
What are the key properties of 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 56891350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).