pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C12H15N5O2 — CID 62698839

IUPACpyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCc2ncccn2)c(C)c1N
InChIInChI=1S/C12H15N5O2/c1-8-12(13)9(2)17(16-8)6-11(18)19-7-10-14-4-3-5-15-10/h3-5H,6-7,13H2,1-2H3
InChIKeyWGDMSVSAMXGGNX-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.62
Rot. Bonds4

About pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 62698839) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namepyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID62698839
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Namepyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCc2ncccn2)c(C)c1N
InChIInChI=1S/C12H15N5O2/c1-8-12(13)9(2)17(16-8)6-11(18)19-7-10-14-4-3-5-15-10/h3-5H,6-7,13H2,1-2H3
InChIKeyWGDMSVSAMXGGNX-UHFFFAOYSA-N
XLogP0.62
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 62698839) is pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is Cc1nn(CC(=O)OCc2ncccn2)c(C)c1N.
What is the InChIKey of pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is WGDMSVSAMXGGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-12(13)9(2)17(16-8)6-11(18)19-7-10-14-4-3-5-15-10/h3-5H,6-7,13H2,1-2H3.
What are the key properties of pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 62698839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).