5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol

C12H20BrN3O — CID 107201844

IUPAC5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCCc1nc(Br)cc(N(C)CCCCCO)n1
InChIInChI=1S/C12H20BrN3O/c1-3-11-14-10(13)9-12(15-11)16(2)7-5-4-6-8-17/h9,17H,3-8H2,1-2H3
InChIKeyRVMDDQIUOBNQCA-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.40
Rot. Bonds7

About 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol

5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol (PubChem CID 107201844) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
PubChem CID107201844
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
SMILESCCc1nc(Br)cc(N(C)CCCCCO)n1
InChIInChI=1S/C12H20BrN3O/c1-3-11-14-10(13)9-12(15-11)16(2)7-5-4-6-8-17/h9,17H,3-8H2,1-2H3
InChIKeyRVMDDQIUOBNQCA-UHFFFAOYSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol (CID 107201844) is 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol is CCc1nc(Br)cc(N(C)CCCCCO)n1.
What is the InChIKey of 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
The InChIKey is RVMDDQIUOBNQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-3-11-14-10(13)9-12(15-11)16(2)7-5-4-6-8-17/h9,17H,3-8H2,1-2H3.
What are the key properties of 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol?
5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107201844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).