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

C12H18N4O3 — CID 9406635

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)N(C)C
InChIInChI=1S/C12H18N4O3/c1-7-9(8(2)15-12(19)14-7)5-10(17)13-6-11(18)16(3)4/h5-6H2,1-4H3,(H,13,17)(H,14,15,19)
InChIKeyOBQXQYOVAKUKEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.87
Rot. Bonds4

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

N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 9406635) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID9406635
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)N(C)C
InChIInChI=1S/C12H18N4O3/c1-7-9(8(2)15-12(19)14-7)5-10(17)13-6-11(18)16(3)4/h5-6H2,1-4H3,(H,13,17)(H,14,15,19)
InChIKeyOBQXQYOVAKUKEJ-UHFFFAOYSA-N
XLogP-0.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-[3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)propanoyl]-N~1~,N~1~-dimethylalaninamide
CID 56746306
(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
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-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 9405708
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9406387
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9406707
2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9489421
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetamide
CID 9513839
2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9517300
2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465472
N-cyclopropyl-1-[3-(2-hydroxy-4,6-dimethyl-5-pyrimidinyl)propanoyl]-2-piperazinecarboxamide
CID 56892505
N-cyclohexyl-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 60675842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide (CID 9406635) is N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is OBQXQYOVAKUKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-9(8(2)15-12(19)14-7)5-10(17)13-6-11(18)16(3)4/h5-6H2,1-4H3,(H,13,17)(H,14,15,19).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 9406635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).