2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine

C13H17N5O — CID 81345791

IUPAC2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(C)nn2C)nc(C2CC2)n1
InChIInChI=1S/C13H17N5O/c1-8-6-12(18(3)17-8)19-11-7-10(14-2)15-13(16-11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeySZLJXDUMUPFTMY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds4

About 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine

2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine (PubChem CID 81345791) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine
PubChem CID81345791
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(C)nn2C)nc(C2CC2)n1
InChIInChI=1S/C13H17N5O/c1-8-6-12(18(3)17-8)19-11-7-10(14-2)15-13(16-11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeySZLJXDUMUPFTMY-UHFFFAOYSA-N
XLogP2.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine (CID 81345791) is 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine is CNc1cc(Oc2cc(C)nn2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine?
The InChIKey is SZLJXDUMUPFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-6-12(18(3)17-8)19-11-7-10(14-2)15-13(16-11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 81345791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).