ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate

C10H14ClN3O2 — CID 62481737

IUPACethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C10H14ClN3O2/c1-3-16-10(15)4-5-12-9-6-8(11)13-7(2)14-9/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyWKSAEQXXSGIQAS-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.80
Rot. Bonds5

About ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate

ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 62481737) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
PubChem CID62481737
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Nameethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(Cl)nc(C)n1
InChIInChI=1S/C10H14ClN3O2/c1-3-16-10(15)4-5-12-9-6-8(11)13-7(2)14-9/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyWKSAEQXXSGIQAS-UHFFFAOYSA-N
XLogP1.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
ethyl 4-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 106767911
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903463
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate (CID 62481737) is ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate is CCOC(=O)CCNc1cc(Cl)nc(C)n1.
What is the InChIKey of ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is WKSAEQXXSGIQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-16-10(15)4-5-12-9-6-8(11)13-7(2)14-9/h6H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate?
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 243.69 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 62481737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).