ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate

C11H18N4O2 — CID 58765530

IUPACethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate
SMILESCCOC(=O)CCCCc1cc(N)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-2-17-10(16)6-4-3-5-8-7-9(12)15-11(13)14-8/h7H,2-6H2,1H3,(H4,12,13,14,15)
InChIKeyZMKKDMDQONSEAG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.92
Rot. Bonds6

About ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate

ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate (PubChem CID 58765530) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate
PubChem CID58765530
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate
SMILESCCOC(=O)CCCCc1cc(N)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-2-17-10(16)6-4-3-5-8-7-9(12)15-11(13)14-8/h7H,2-6H2,1H3,(H4,12,13,14,15)
InChIKeyZMKKDMDQONSEAG-UHFFFAOYSA-N
XLogP0.92
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 9-(2,6-diaminopyrimidin-4-yl)-3-(2-methylpyrimidin-5-yl)-5-oxononanoate
CID 70091948
ethyl 5-(1-ethyltriazol-4-yl)pentanoate
CID 137386738
diethyl hexanedioate
CID 160747628
ethyl 6-(2-amino-6-chloroquinazolin-4-yl)hexanoate
CID 151140102
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
diethyl icosanedioate
CID 5058538
ethyl 5-[5-(aminomethyl)pyrimidin-2-yl]pentanoate
CID 71743527
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
ethyl 5-(3-aminophenyl)pentanoate
CID 11775691
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
diethyl 6-methylideneundecanedioate
CID 57123077

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate?
The IUPAC name of ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate (CID 58765530) is ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate.
What is the SMILES notation for ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate?
The canonical SMILES for ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate is CCOC(=O)CCCCc1cc(N)nc(N)n1.
What is the InChIKey of ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate?
The InChIKey is ZMKKDMDQONSEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-17-10(16)6-4-3-5-8-7-9(12)15-11(13)14-8/h7H,2-6H2,1H3,(H4,12,13,14,15).
What are the key properties of ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate?
ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate has a molecular weight of 238.29 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate is sourced from PubChem (CID 58765530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).