2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

C19H24N4O2 — CID 90619942

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
SMILESCc1ncn(CC(=O)NCC2CCCN2c2ccccc2)c(=O)c1C
InChIInChI=1S/C19H24N4O2/c1-14-15(2)21-13-22(19(14)25)12-18(24)20-11-17-9-6-10-23(17)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,20,24)
InChIKeyVDAGKTUQRQBCHM-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.65
Rot. Bonds5

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 90619942) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
PubChem CID90619942
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
SMILESCc1ncn(CC(=O)NCC2CCCN2c2ccccc2)c(=O)c1C
InChIInChI=1S/C19H24N4O2/c1-14-15(2)21-13-22(19(14)25)12-18(24)20-11-17-9-6-10-23(17)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,20,24)
InChIKeyVDAGKTUQRQBCHM-UHFFFAOYSA-N
XLogP1.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (CID 90619942) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is Cc1ncn(CC(=O)NCC2CCCN2c2ccccc2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is VDAGKTUQRQBCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-15(2)21-13-22(19(14)25)12-18(24)20-11-17-9-6-10-23(17)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 90619942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).