2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide

C16H26N5O3+ — CID 9405707

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C16H25N5O3/c1-11-13(12(2)18-16(24)17-11)9-14(22)20(4)10-15(23)21-7-5-19(3)6-8-21/h5-10H2,1-4H3,(H,17,18,24)/p+1
InChIKeyNGVZXYHXLMPZRR-UHFFFAOYSA-O
MW336.42 g/mol
LogP-2.26
Rot. Bonds4

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide (PubChem CID 9405707) has the molecular formula C16H26N5O3+ and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide
PubChem CID9405707
Molecular FormulaC16H26N5O3+
Molecular Weight336.42 g/mol
Exact Mass336.20
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C16H25N5O3/c1-11-13(12(2)18-16(24)17-11)9-14(22)20(4)10-15(23)21-7-5-19(3)6-8-21/h5-10H2,1-4H3,(H,17,18,24)/p+1
InChIKeyNGVZXYHXLMPZRR-UHFFFAOYSA-O
XLogP-2.26
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide (CID 9405707) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide?
The InChIKey is NGVZXYHXLMPZRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N5O3/c1-11-13(12(2)18-16(24)17-11)9-14(22)20(4)10-15(23)21-7-5-19(3)6-8-21/h5-10H2,1-4H3,(H,17,18,24)/p+1.
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of -2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 9405707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).