3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide

C11H19N5O — CID 80933202

IUPAC3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NCCC(N)=O)nc(CC)n1
InChIInChI=1S/C11H19N5O/c1-3-9-15-10(13-4-2)7-11(16-9)14-6-5-8(12)17/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyYMLINAIYBDFCHJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.76
Rot. Bonds7

About 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80933202) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80933202
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NCCC(N)=O)nc(CC)n1
InChIInChI=1S/C11H19N5O/c1-3-9-15-10(13-4-2)7-11(16-9)14-6-5-8(12)17/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyYMLINAIYBDFCHJ-UHFFFAOYSA-N
XLogP0.76
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
2-[(2-amino-2-oxoethyl)-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80934481
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242008
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide (CID 80933202) is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide is CCNc1cc(NCCC(N)=O)nc(CC)n1.
What is the InChIKey of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is YMLINAIYBDFCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-9-15-10(13-4-2)7-11(16-9)14-6-5-8(12)17/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,14,15,16).
What are the key properties of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 237.31 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80933202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).