methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate

C11H13N5O2 — CID 66285127

IUPACmethyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(-n2nc(C)c(N)c2C)n1
InChIInChI=1S/C11H13N5O2/c1-6-9(12)7(2)16(15-6)8-4-5-13-10(14-8)11(17)18-3/h4-5H,12H2,1-3H3
InChIKeyRNMQHSJBSYRSDK-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.65
Rot. Bonds2

About methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate

methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate (PubChem CID 66285127) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate
PubChem CID66285127
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(-n2nc(C)c(N)c2C)n1
InChIInChI=1S/C11H13N5O2/c1-6-9(12)7(2)16(15-6)8-4-5-13-10(14-8)11(17)18-3/h4-5H,12H2,1-3H3
InChIKeyRNMQHSJBSYRSDK-UHFFFAOYSA-N
XLogP0.65
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate (CID 66285127) is methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate is COC(=O)c1nccc(-n2nc(C)c(N)c2C)n1.
What is the InChIKey of methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate?
The InChIKey is RNMQHSJBSYRSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-9(12)7(2)16(15-6)8-4-5-13-10(14-8)11(17)18-3/h4-5H,12H2,1-3H3.
What are the key properties of methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate?
methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate has a molecular weight of 247.26 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).