ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate

C13H20N4O2 — CID 80993671

IUPACethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C13H20N4O2/c1-4-19-10(18)7-15-12-8(2)11(14-3)16-13(17-12)9-5-6-9/h9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyDPJSYMQSWPNNRH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.68
Rot. Bonds6

About ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate

ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate (PubChem CID 80993671) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
PubChem CID80993671
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C13H20N4O2/c1-4-19-10(18)7-15-12-8(2)11(14-3)16-13(17-12)9-5-6-9/h9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyDPJSYMQSWPNNRH-UHFFFAOYSA-N
XLogP1.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
CID 80993875
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992318
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982786
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80984218
2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993475
2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985468

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate (CID 80993671) is ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate is CCOC(=O)CNc1nc(C2CC2)nc(NC)c1C.
What is the InChIKey of ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate?
The InChIKey is DPJSYMQSWPNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-19-10(18)7-15-12-8(2)11(14-3)16-13(17-12)9-5-6-9/h9H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate?
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate has a molecular weight of 264.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 80993671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).