methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate

C10H16N4O2 — CID 80935382

IUPACmethyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
SMILESCCc1nc(N)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C10H16N4O2/c1-4-8-13-7(11)5-9(14-8)12-6(2)10(15)16-3/h5-6H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeyRNKZBCWRZXZAQB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.59
Rot. Bonds4

About methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate

methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate (PubChem CID 80935382) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
PubChem CID80935382
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
SMILESCCc1nc(N)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C10H16N4O2/c1-4-8-13-7(11)5-9(14-8)12-6(2)10(15)16-3/h5-6H,4H2,1-3H3,(H3,11,12,13,14)
InChIKeyRNKZBCWRZXZAQB-UHFFFAOYSA-N
XLogP0.59
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.59
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
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80935004
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80937066
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102717921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate (CID 80935382) is methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate is CCc1nc(N)cc(NC(C)C(=O)OC)n1.
What is the InChIKey of methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate?
The InChIKey is RNKZBCWRZXZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-8-13-7(11)5-9(14-8)12-6(2)10(15)16-3/h5-6H,4H2,1-3H3,(H3,11,12,13,14).
What are the key properties of methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate?
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80935382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).