2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one

C16H22N6O2 — CID 154768315

IUPAC2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C2CCN(C(=O)Cc3cncn3C)C2)cc(=O)[nH]1
InChIInChI=1S/C16H22N6O2/c1-20(2)16-18-13(7-14(23)19-16)11-4-5-22(9-11)15(24)6-12-8-17-10-21(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,19,23)
InChIKeyWBEKFCXPCOBCJA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.13
Rot. Bonds4

About 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 154768315) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID154768315
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C2CCN(C(=O)Cc3cncn3C)C2)cc(=O)[nH]1
InChIInChI=1S/C16H22N6O2/c1-20(2)16-18-13(7-14(23)19-16)11-4-5-22(9-11)15(24)6-12-8-17-10-21(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,19,23)
InChIKeyWBEKFCXPCOBCJA-UHFFFAOYSA-N
XLogP0.13
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246983
2-(dimethylamino)-4-[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246954
1-[3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 136765923
2-(dimethylamino)-4-[1-[2-(2-oxo-1-pyridinyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 167926168
2-(dimethylamino)-4-[1-(imidazo[1,5-a]pyridine-6-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246916
4-[1-(3-chloropyridine-4-carbonyl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137246948
2-(dimethylamino)-4-[1-(5-propan-2-yl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246965
2-(dimethylamino)-4-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821108
2-(dimethylamino)-4-[(3S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821125
2-(dimethylamino)-4-[1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136765936
4-[(3S)-3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
CID 136821115
3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-1-carbonyl]-2-methylbenzonitrile
CID 137246918

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 154768315) is 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is CN(C)c1nc(C2CCN(C(=O)Cc3cncn3C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is WBEKFCXPCOBCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(2)16-18-13(7-14(23)19-16)11-4-5-22(9-11)15(24)6-12-8-17-10-21(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,19,23).
What are the key properties of 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 330.39 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154768315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).