3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol

C15H16BrN3O — CID 66295900

IUPAC3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol
SMILESCCNc1nc(-c2cccc(O)c2)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3O/c1-2-17-15-12(16)13(9-6-7-9)18-14(19-15)10-4-3-5-11(20)8-10/h3-5,8-9,20H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyYOIRLLLOPWVVOF-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.92
Rot. Bonds4

About 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol

3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol (PubChem CID 66295900) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol
PubChem CID66295900
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol
SMILESCCNc1nc(-c2cccc(O)c2)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3O/c1-2-17-15-12(16)13(9-6-7-9)18-14(19-15)10-4-3-5-11(20)8-10/h3-5,8-9,20H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyYOIRLLLOPWVVOF-UHFFFAOYSA-N
XLogP3.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol (CID 66295900) is 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol is CCNc1nc(-c2cccc(O)c2)nc(C2CC2)c1Br.
What is the InChIKey of 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol?
The InChIKey is YOIRLLLOPWVVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-17-15-12(16)13(9-6-7-9)18-14(19-15)10-4-3-5-11(20)8-10/h3-5,8-9,20H,2,6-7H2,1H3,(H,17,18,19).
What are the key properties of 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol?
3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol has a molecular weight of 334.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 66295900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).