3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide

C14H23N3O3 — CID 47000401

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C14H23N3O3/c1-4-6-16(8-9-18)13(19)5-7-17-12(3)10-11(2)15-14(17)20/h10,18H,4-9H2,1-3H3
InChIKeyZUZTYIJFPAUNKG-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.48
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide (PubChem CID 47000401) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide
PubChem CID47000401
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C14H23N3O3/c1-4-6-16(8-9-18)13(19)5-7-17-12(3)10-11(2)15-14(17)20/h10,18H,4-9H2,1-3H3
InChIKeyZUZTYIJFPAUNKG-UHFFFAOYSA-N
XLogP0.48
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Hydroxyethyl)-4,6-dimethyl-2(1H)-pyrimidinone
CID 121931
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride
CID 6603213
3-(2-Hydroxyethyl)-1,4,6-trimethyl-2-oxo-2,3-dihydropyrimidinium iodide
CID 15787712
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509825
4,6-Diethyl-1-(2-hydroxyethyl)-2-oxopyrimidine
CID 175647249
1-(3-Fluoro-2-hydroxypropyl)-4,6-dimethyl-1,2-dihydropyrimidin-2-one
CID 165595571
1-(2-Hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
CID 53346709
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one chloride
CID 12097246
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097247
1-(2-Hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 15787713
1-(3-Hydroxypropyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 59025358
1-(2-Hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one chloride
CID 69111877

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide (CID 47000401) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide is CCCN(CCO)C(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide?
The InChIKey is ZUZTYIJFPAUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-6-16(8-9-18)13(19)5-7-17-12(3)10-11(2)15-14(17)20/h10,18H,4-9H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-propylpropanamide is sourced from PubChem (CID 47000401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).