3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide

C13H22N4O2 — CID 136811947

IUPAC3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-5-14-11(18)6-7-15-8(2)12-9(3)16-10(4)17-13(12)19/h8,15H,5-7H2,1-4H3,(H,14,18)(H,16,17,19)
InChIKeyTYRFKXWVFUUPGU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.56
Rot. Bonds6

About 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide

3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide (PubChem CID 136811947) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide
PubChem CID136811947
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-5-14-11(18)6-7-15-8(2)12-9(3)16-10(4)17-13(12)19/h8,15H,5-7H2,1-4H3,(H,14,18)(H,16,17,19)
InChIKeyTYRFKXWVFUUPGU-UHFFFAOYSA-N
XLogP0.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide?
The IUPAC name of 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide (CID 136811947) is 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide is CCNC(=O)CCNC(C)c1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide?
The InChIKey is TYRFKXWVFUUPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-14-11(18)6-7-15-8(2)12-9(3)16-10(4)17-13(12)19/h8,15H,5-7H2,1-4H3,(H,14,18)(H,16,17,19).
What are the key properties of 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide?
3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 136811947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).