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

C13H22N4O3 — CID 141146724

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCCC(=O)N(CCN(C)C)c1nc(OC)cc(OC)n1
InChIInChI=1S/C13H22N4O3/c1-6-12(18)17(8-7-16(2)3)13-14-10(19-4)9-11(15-13)20-5/h9H,6-8H2,1-5H3
InChIKeyIZCVJGOZUVBCIL-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.80
Rot. Bonds7

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

N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 141146724) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID141146724
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCCC(=O)N(CCN(C)C)c1nc(OC)cc(OC)n1
InChIInChI=1S/C13H22N4O3/c1-6-12(18)17(8-7-16(2)3)13-14-10(19-4)9-11(15-13)20-5/h9H,6-8H2,1-5H3
InChIKeyIZCVJGOZUVBCIL-UHFFFAOYSA-N
XLogP0.80
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
N-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanamide
CID 718572
N-(4,6-dimethoxypyrimidin-2-yl)propanamide
CID 942474
1-(4,6-Dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
CID 90342170
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 25269752
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
CID 25269754
4-(dimethylamino)-N-ethyl-6-methoxypyrimidine-2-carboxamide
CID 122180009

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide (CID 141146724) is N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide is CCC(=O)N(CCN(C)C)c1nc(OC)cc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is IZCVJGOZUVBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-6-12(18)17(8-7-16(2)3)13-14-10(19-4)9-11(15-13)20-5/h9H,6-8H2,1-5H3.
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide?
N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.80, 7 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]propanamide is sourced from PubChem (CID 141146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).