ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate

C11H19N5O2 — CID 80789524

IUPACethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1cc(NCC(=O)OCC)nc(N)n1
InChIInChI=1S/C11H19N5O2/c1-3-5-13-8-6-9(16-11(12)15-8)14-7-10(17)18-4-2/h6H,3-5,7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyONTGEBLPOGBHOY-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.86
Rot. Bonds7

About ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate

ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate (PubChem CID 80789524) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
PubChem CID80789524
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Nameethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1cc(NCC(=O)OCC)nc(N)n1
InChIInChI=1S/C11H19N5O2/c1-3-5-13-8-6-9(16-11(12)15-8)14-7-10(17)18-4-2/h6H,3-5,7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyONTGEBLPOGBHOY-UHFFFAOYSA-N
XLogP0.86
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80960937
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80850772
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate
CID 131213825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate (CID 80789524) is ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate is CCCNc1cc(NCC(=O)OCC)nc(N)n1.
What is the InChIKey of ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The InChIKey is ONTGEBLPOGBHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-5-13-8-6-9(16-11(12)15-8)14-7-10(17)18-4-2/h6H,3-5,7H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate?
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate has a molecular weight of 253.31 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 80789524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).