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

C16H25N5O3 — CID 9405708

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)CC(=O)N1CCN(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)
InChIKeyNGVZXYHXLMPZRR-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.84
Rot. Bonds4

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 9405708) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID9405708
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)CC(=O)N1CCN(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)
InChIKeyNGVZXYHXLMPZRR-UHFFFAOYSA-N
XLogP-0.84
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-[3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)propanoyl]-N~1~,N~1~-dimethylalaninamide
CID 56746306
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
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9406387
N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 9406635
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9406707
5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43416397
8-[3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)propanoyl]-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50948452
3-(2-Hydroxy-4,6-dimethylpyrimidin-5-YL)-N-[2-(1-methylpiperidin-3-YL)ethyl]propanamide
CID 56716214
N-cyclopropyl-1-[3-(2-hydroxy-4,6-dimethyl-5-pyrimidinyl)propanoyl]-2-piperazinecarboxamide
CID 56892505
N-{(1S*,2R*)-2-[(1-ethyl-4-piperidinyl)amino]cyclobutyl}-3-(2-hydroxy-4,6-dimethyl-5-pyrimidinyl)propanamide
CID 56892726
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N,N-diethylacetamide
CID 60675927
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propylacetamide
CID 60676026

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-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-1-yl)-2-oxoethyl]acetamide (CID 9405708) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-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-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-1-yl)-2-oxoethyl]acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)N(C)CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is NGVZXYHXLMPZRR-UHFFFAOYSA-N. 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).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 9405708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).