3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

C21H28N4O2 — CID 70778946

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N(C)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H28N4O2/c1-15-19(16(2)23-21(27)22-15)9-10-20(26)24(3)13-17-11-12-25(14-17)18-7-5-4-6-8-18/h4-8,17H,9-14H2,1-3H3,(H,22,23,27)
InChIKeyGJTKBRBRSISSLP-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.30
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 70778946) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
PubChem CID70778946
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N(C)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H28N4O2/c1-15-19(16(2)23-21(27)22-15)9-10-20(26)24(3)13-17-11-12-25(14-17)18-7-5-4-6-8-18/h4-8,17H,9-14H2,1-3H3,(H,22,23,27)
InChIKeyGJTKBRBRSISSLP-UHFFFAOYSA-N
XLogP2.30
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (CID 70778946) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)N(C)CC1CCN(c2ccccc2)C1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is GJTKBRBRSISSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-19(16(2)23-21(27)22-15)9-10-20(26)24(3)13-17-11-12-25(14-17)18-7-5-4-6-8-18/h4-8,17H,9-14H2,1-3H3,(H,22,23,27).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 70778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).