N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide

C12H20N4O3 — CID 141146722

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1cc(OC)nc(N(CCN(C)C)C(C)=O)n1
InChIInChI=1S/C12H20N4O3/c1-9(17)16(7-6-15(2)3)12-13-10(18-4)8-11(14-12)19-5/h8H,6-7H2,1-5H3
InChIKeyVBJTWVMXOCDHRL-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.41
Rot. Bonds6

About N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide

N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 141146722) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID141146722
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1cc(OC)nc(N(CCN(C)C)C(C)=O)n1
InChIInChI=1S/C12H20N4O3/c1-9(17)16(7-6-15(2)3)12-13-10(18-4)8-11(14-12)19-5/h8H,6-7H2,1-5H3
InChIKeyVBJTWVMXOCDHRL-UHFFFAOYSA-N
XLogP0.41
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride
CID 23349923
1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one
CID 130427336
1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
CID 23349888
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
2-[acetyl-[2-(dimethylamino)ethyl]amino]benzoic acid
CID 125468178
N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115355568

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 141146722) is N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide is COc1cc(OC)nc(N(CCN(C)C)C(C)=O)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is VBJTWVMXOCDHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(17)16(7-6-15(2)3)12-13-10(18-4)8-11(14-12)19-5/h8H,6-7H2,1-5H3.
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide?
N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 141146722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).