ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate

C12H20N4O2 — CID 80816143

IUPACethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
SMILESCCNc1nc(C)cc(NCCC(=O)OCC)n1
InChIInChI=1S/C12H20N4O2/c1-4-13-12-15-9(3)8-10(16-12)14-7-6-11(17)18-5-2/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyMOAHHGTZRAQIMS-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.58
Rot. Bonds7

About ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate

ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate (PubChem CID 80816143) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
PubChem CID80816143
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
SMILESCCNc1nc(C)cc(NCCC(=O)OCC)n1
InChIInChI=1S/C12H20N4O2/c1-4-13-12-15-9(3)8-10(16-12)14-7-6-11(17)18-5-2/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyMOAHHGTZRAQIMS-UHFFFAOYSA-N
XLogP1.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
ethyl 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80816508
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 56700210

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate (CID 80816143) is ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate is CCNc1nc(C)cc(NCCC(=O)OCC)n1.
What is the InChIKey of ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate?
The InChIKey is MOAHHGTZRAQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-13-12-15-9(3)8-10(16-12)14-7-6-11(17)18-5-2/h8H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate?
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate has a molecular weight of 252.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80816143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).