1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C15H23N5O3 — CID 136834803

IUPAC1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(CCCN(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O3/c1-10-16-12(8-13(21)17-10)18-15(23)11-7-14(22)20(9-11)6-4-5-19(2)3/h8,11H,4-7,9H2,1-3H3,(H2,16,17,18,21,23)
InChIKeyGRWWZSBJANRTKZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.18
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 136834803) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID136834803
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(CCCN(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O3/c1-10-16-12(8-13(21)17-10)18-15(23)11-7-14(22)20(9-11)6-4-5-19(2)3/h8,11H,4-7,9H2,1-3H3,(H2,16,17,18,21,23)
InChIKeyGRWWZSBJANRTKZ-UHFFFAOYSA-N
XLogP-0.18
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 136834803) is 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2CC(=O)N(CCCN(C)C)C2)cc(=O)[nH]1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GRWWZSBJANRTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-16-12(8-13(21)17-10)18-15(23)11-7-14(22)20(9-11)6-4-5-19(2)3/h8,11H,4-7,9H2,1-3H3,(H2,16,17,18,21,23).
What are the key properties of 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136834803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).