4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one

C18H22N4O — CID 91840000

IUPAC4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
SMILESCCN(C)c1cc(CC2CC(=O)N(c3ccccc3)C2)ncn1
InChIInChI=1S/C18H22N4O/c1-3-21(2)17-11-15(19-13-20-17)9-14-10-18(23)22(12-14)16-7-5-4-6-8-16/h4-8,11,13-14H,3,9-10,12H2,1-2H3
InChIKeyARTDFKJRSFLESH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.53
Rot. Bonds5

About 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one

4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 91840000) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
PubChem CID91840000
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
SMILESCCN(C)c1cc(CC2CC(=O)N(c3ccccc3)C2)ncn1
InChIInChI=1S/C18H22N4O/c1-3-21(2)17-11-15(19-13-20-17)9-14-10-18(23)22(12-14)16-7-5-4-6-8-16/h4-8,11,13-14H,3,9-10,12H2,1-2H3
InChIKeyARTDFKJRSFLESH-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91759927
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 91829119
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 91772946
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 91790354

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one (CID 91840000) is 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one is CCN(C)c1cc(CC2CC(=O)N(c3ccccc3)C2)ncn1.
What is the InChIKey of 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is ARTDFKJRSFLESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-21(2)17-11-15(19-13-20-17)9-14-10-18(23)22(12-14)16-7-5-4-6-8-16/h4-8,11,13-14H,3,9-10,12H2,1-2H3.
What are the key properties of 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one?
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 91840000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).