ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate

C12H20N4O2 — CID 80954453

IUPACethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(N)cc(NC(C)C(=O)OCC)n1
InChIInChI=1S/C12H20N4O2/c1-4-6-10-15-9(13)7-11(16-10)14-8(3)12(17)18-5-2/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeySNZKYMSIYUIRTN-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.37
Rot. Bonds6

About ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate

ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate (PubChem CID 80954453) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
PubChem CID80954453
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(N)cc(NC(C)C(=O)OCC)n1
InChIInChI=1S/C12H20N4O2/c1-4-6-10-15-9(13)7-11(16-10)14-8(3)12(17)18-5-2/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeySNZKYMSIYUIRTN-UHFFFAOYSA-N
XLogP1.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80935004
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
CID 80985906
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80946866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate (CID 80954453) is ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate is CCCc1nc(N)cc(NC(C)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
The InChIKey is SNZKYMSIYUIRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-6-10-15-9(13)7-11(16-10)14-8(3)12(17)18-5-2/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate has a molecular weight of 252.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80954453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).