(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide

C10H16N4O2 — CID 94447749

IUPAC(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide
SMILESCCNC(=O)[C@H](C)Nc1nccc(OC)n1
InChIInChI=1S/C10H16N4O2/c1-4-11-9(15)7(2)13-10-12-6-5-8(14-10)16-3/h5-7H,4H2,1-3H3,(H,11,15)(H,12,13,14)/t7-/m0/s1
InChIKeyIZXBWZYLFBFMBG-ZETCQYMHSA-N
MW224.26 g/mol
LogP0.42
Rot. Bonds5

About (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide

(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide (PubChem CID 94447749) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide
PubChem CID94447749
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide
SMILESCCNC(=O)[C@H](C)Nc1nccc(OC)n1
InChIInChI=1S/C10H16N4O2/c1-4-11-9(15)7(2)13-10-12-6-5-8(14-10)16-3/h5-7H,4H2,1-3H3,(H,11,15)(H,12,13,14)/t7-/m0/s1
InChIKeyIZXBWZYLFBFMBG-ZETCQYMHSA-N
XLogP0.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide (CID 94447749) is (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide is CCNC(=O)[C@H](C)Nc1nccc(OC)n1.
What is the InChIKey of (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide?
The InChIKey is IZXBWZYLFBFMBG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-11-9(15)7(2)13-10-12-6-5-8(14-10)16-3/h5-7H,4H2,1-3H3,(H,11,15)(H,12,13,14)/t7-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide?
(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 94447749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).