ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate

C10H17N5O2 — CID 80816426

IUPACethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCOC(=O)CCNc1cc(NC)nc(N)n1
InChIInChI=1S/C10H17N5O2/c1-3-17-9(16)4-5-13-8-6-7(12-2)14-10(11)15-8/h6H,3-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyMUZVWXXRTSHPMF-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.47
Rot. Bonds6

About ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate

ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate (PubChem CID 80816426) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
PubChem CID80816426
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Nameethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCOC(=O)CCNc1cc(NC)nc(N)n1
InChIInChI=1S/C10H17N5O2/c1-3-17-9(16)4-5-13-8-6-7(12-2)14-10(11)15-8/h6H,3-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyMUZVWXXRTSHPMF-UHFFFAOYSA-N
XLogP0.47
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80798105
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate (CID 80816426) is ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate is CCOC(=O)CCNc1cc(NC)nc(N)n1.
What is the InChIKey of ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate?
The InChIKey is MUZVWXXRTSHPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-17-9(16)4-5-13-8-6-7(12-2)14-10(11)15-8/h6H,3-5H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate?
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate has a molecular weight of 239.28 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80816426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).