ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate

C10H15ClN4O2 — CID 114074473

IUPACethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C10H15ClN4O2/c1-3-17-7(16)4-5-15(2)10-8(12)9(11)13-6-14-10/h6H,3-5,12H2,1-2H3
InChIKeyDXAYMIDPWWRYQN-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.10
Rot. Bonds5

About ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate

ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate (PubChem CID 114074473) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
PubChem CID114074473
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Nameethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C10H15ClN4O2/c1-3-17-7(16)4-5-15(2)10-8(12)9(11)13-6-14-10/h6H,3-5,12H2,1-2H3
InChIKeyDXAYMIDPWWRYQN-UHFFFAOYSA-N
XLogP1.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-methyl-4-N-propylpyrimidine-4,5-diamine
CID 63024110
6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
CID 81059374
ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
CID 55209509
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
ethyl 3-[methyl-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 110497916
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate
CID 103911820

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate (CID 114074473) is ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate is CCOC(=O)CCN(C)c1ncnc(Cl)c1N.
What is the InChIKey of ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate?
The InChIKey is DXAYMIDPWWRYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-3-17-7(16)4-5-15(2)10-8(12)9(11)13-6-14-10/h6H,3-5,12H2,1-2H3.
What are the key properties of ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate?
ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate has a molecular weight of 258.71 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate is sourced from PubChem (CID 114074473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).