3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide

C9H13ClN4O — CID 80936690

IUPAC3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(Cl)cc(NCCC(N)=O)n1
InChIInChI=1S/C9H13ClN4O/c1-2-8-13-6(10)5-9(14-8)12-4-3-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyKIUHJHZQHFHHET-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.98
Rot. Bonds5

About 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide

3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide (PubChem CID 80936690) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
PubChem CID80936690
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(Cl)cc(NCCC(N)=O)n1
InChIInChI=1S/C9H13ClN4O/c1-2-8-13-6(10)5-9(14-8)12-4-3-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyKIUHJHZQHFHHET-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
3-[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83113578
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80938791
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279614
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide (CID 80936690) is 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide is CCc1nc(Cl)cc(NCCC(N)=O)n1.
What is the InChIKey of 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide?
The InChIKey is KIUHJHZQHFHHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-2-8-13-6(10)5-9(14-8)12-4-3-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide?
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide has a molecular weight of 228.68 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 80936690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).