methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate

C10H17N5O2 — CID 80797128

IUPACmethyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCNc1cc(NCCC(=O)OC)nc(N)n1
InChIInChI=1S/C10H17N5O2/c1-3-12-7-6-8(15-10(11)14-7)13-5-4-9(16)17-2/h6H,3-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyGPJGJYJWPBHVEP-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.47
Rot. Bonds6

About methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate

methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate (PubChem CID 80797128) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
PubChem CID80797128
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Namemethyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCNc1cc(NCCC(=O)OC)nc(N)n1
InChIInChI=1S/C10H17N5O2/c1-3-12-7-6-8(15-10(11)14-7)13-5-4-9(16)17-2/h6H,3-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyGPJGJYJWPBHVEP-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

ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 80885529
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
methyl 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]propanoate
CID 80798638
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate (CID 80797128) is methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate is CCNc1cc(NCCC(=O)OC)nc(N)n1.
What is the InChIKey of methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate?
The InChIKey is GPJGJYJWPBHVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-12-7-6-8(15-10(11)14-7)13-5-4-9(16)17-2/h6H,3-5H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate?
methyl 3-[[2-amino-6-(ethylamino)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 methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80797128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).