methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate

C12H12N4O2 — CID 116975760

IUPACmethyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1ncc(-c2cccnc2)cn1
InChIInChI=1S/C12H12N4O2/c1-18-11(17)8-16-12-14-6-10(7-15-12)9-3-2-4-13-5-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyJZTWXNRFOOXMEV-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.12
Rot. Bonds4

About methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate

methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate (PubChem CID 116975760) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate
PubChem CID116975760
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Namemethyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1ncc(-c2cccnc2)cn1
InChIInChI=1S/C12H12N4O2/c1-18-11(17)8-16-12-14-6-10(7-15-12)9-3-2-4-13-5-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyJZTWXNRFOOXMEV-UHFFFAOYSA-N
XLogP1.12
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate
CID 116975761
2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975203
N-methyl-N'-(5-pyridin-3-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974460
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
CID 116975092
methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
CID 157422619
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
CID 86591825
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate (CID 116975760) is methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate is COC(=O)CNc1ncc(-c2cccnc2)cn1.
What is the InChIKey of methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate?
The InChIKey is JZTWXNRFOOXMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-11(17)8-16-12-14-6-10(7-15-12)9-3-2-4-13-5-9/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate?
methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate has a molecular weight of 244.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 116975760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).