methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate

C12H19N3O4 — CID 69082521

IUPACmethyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate
SMILESCOC(=O)CCCC(N)c1c(OC)ncnc1OC
InChIInChI=1S/C12H19N3O4/c1-17-9(16)6-4-5-8(13)10-11(18-2)14-7-15-12(10)19-3/h7-8H,4-6,13H2,1-3H3
InChIKeyOHXZGWWZMJNDDN-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.84
Rot. Bonds7

About methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate

methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate (PubChem CID 69082521) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate
PubChem CID69082521
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Namemethyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate
SMILESCOC(=O)CCCC(N)c1c(OC)ncnc1OC
InChIInChI=1S/C12H19N3O4/c1-17-9(16)6-4-5-8(13)10-11(18-2)14-7-15-12(10)19-3/h7-8H,4-6,13H2,1-3H3
InChIKeyOHXZGWWZMJNDDN-UHFFFAOYSA-N
XLogP0.84
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
CID 54927569
methyl 6-amino-6-(2,6-difluoro-4-methoxyphenyl)hexanoate
CID 60964960
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate
CID 52951908
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320
methyl 5-amino-5-(5-bromo-2-methoxy-4-methylphenyl)pentanoate
CID 65434125
methyl 5-amino-5-[2,4-di(propan-2-yl)phenyl]pentanoate
CID 60860655
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
methyl 5-amino-5-(2,4-difluorophenyl)pentanoate
CID 54927803
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 6-amino-6-(4-bromo-2,5-dimethoxyphenyl)hexanoate
CID 105056901
methyl 5-amino-5-[4-(trifluoromethoxy)phenyl]pentanoate
CID 60861488

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate?
The IUPAC name of methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate (CID 69082521) is methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate.
What is the SMILES notation for methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate?
The canonical SMILES for methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate is COC(=O)CCCC(N)c1c(OC)ncnc1OC.
What is the InChIKey of methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate?
The InChIKey is OHXZGWWZMJNDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-17-9(16)6-4-5-8(13)10-11(18-2)14-7-15-12(10)19-3/h7-8H,4-6,13H2,1-3H3.
What are the key properties of methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate?
methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate has a molecular weight of 269.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-(4,6-dimethoxypyrimidin-5-yl)pentanoate is sourced from PubChem (CID 69082521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).