5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol

C15H16BrN3O2 — CID 66295717

IUPAC5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3O2/c1-17-15-12(16)13(8-3-4-8)18-14(19-15)9-5-6-11(21-2)10(20)7-9/h5-8,20H,3-4H2,1-2H3,(H,17,18,19)
InChIKeySLPUTQORCATHQI-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.54
Rot. Bonds4

About 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol

5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol (PubChem CID 66295717) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
PubChem CID66295717
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3O2/c1-17-15-12(16)13(8-3-4-8)18-14(19-15)9-5-6-11(21-2)10(20)7-9/h5-8,20H,3-4H2,1-2H3,(H,17,18,19)
InChIKeySLPUTQORCATHQI-UHFFFAOYSA-N
XLogP3.54
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol (CID 66295717) is 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol is CNc1nc(-c2ccc(OC)c(O)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
The InChIKey is SLPUTQORCATHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-17-15-12(16)13(8-3-4-8)18-14(19-15)9-5-6-11(21-2)10(20)7-9/h5-8,20H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol has a molecular weight of 350.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 66295717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).