ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate

C11H17ClN4O2 — CID 133407085

IUPACethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-18-10(17)5-4-7(2)14-9-6-8(12)15-11(13)16-9/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyGQTCTNPTDHCQSX-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.86
Rot. Bonds6

About ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate

ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate (PubChem CID 133407085) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate
PubChem CID133407085
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Nameethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-18-10(17)5-4-7(2)14-9-6-8(12)15-11(13)16-9/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyGQTCTNPTDHCQSX-UHFFFAOYSA-N
XLogP1.86
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]butanoate
CID 133363360
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
methyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 133444300
ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate
CID 146387327
6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 78971397
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
ethyl (4S)-4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]pentanoate
CID 51599956
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
CID 80907899
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate?
The IUPAC name of ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate (CID 133407085) is ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate.
What is the SMILES notation for ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate?
The canonical SMILES for ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate is CCOC(=O)CCC(C)Nc1cc(Cl)nc(N)n1.
What is the InChIKey of ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate?
The InChIKey is GQTCTNPTDHCQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-3-18-10(17)5-4-7(2)14-9-6-8(12)15-11(13)16-9/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16).
What are the key properties of ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate?
ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate has a molecular weight of 272.74 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate is sourced from PubChem (CID 133407085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).