4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine

C9H11N5O — CID 81346798

IUPAC4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine
SMILESCc1cc(Oc2ccnc(N)n2)n(C)n1
InChIInChI=1S/C9H11N5O/c1-6-5-8(14(2)13-6)15-7-3-4-11-9(10)12-7/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyLNZYLZNMMDKCHF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.89
Rot. Bonds2

About 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine

4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine (PubChem CID 81346798) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine
PubChem CID81346798
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine
SMILESCc1cc(Oc2ccnc(N)n2)n(C)n1
InChIInChI=1S/C9H11N5O/c1-6-5-8(14(2)13-6)15-7-3-4-11-9(10)12-7/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyLNZYLZNMMDKCHF-UHFFFAOYSA-N
XLogP0.89
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine (CID 81346798) is 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine is Cc1cc(Oc2ccnc(N)n2)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine?
The InChIKey is LNZYLZNMMDKCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-5-8(14(2)13-6)15-7-3-4-11-9(10)12-7/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine has a molecular weight of 205.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 81346798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).