4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol

C9H14BrN3O — CID 66106214

IUPAC4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1ncc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-7(2-3-14)4-11-9-12-5-8(10)6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyZIZVGLFUBIHCRS-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.67
Rot. Bonds5

About 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol

4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 66106214) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID66106214
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1ncc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-7(2-3-14)4-11-9-12-5-8(10)6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyZIZVGLFUBIHCRS-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol (CID 66106214) is 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNc1ncc(Br)cn1.
What is the InChIKey of 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is ZIZVGLFUBIHCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-7(2-3-14)4-11-9-12-5-8(10)6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol?
4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 260.13 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66106214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).