1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol

C9H14BrN3O — CID 56790917

IUPAC1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ncc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-9(2,14)6-13(3)8-11-4-7(10)5-12-8/h4-5,14H,6H2,1-3H3
InChIKeyAFGKVIBZMPWHEC-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.45
Rot. Bonds3

About 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol

1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 56790917) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID56790917
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ncc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-9(2,14)6-13(3)8-11-4-7(10)5-12-8/h4-5,14H,6H2,1-3H3
InChIKeyAFGKVIBZMPWHEC-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol (CID 56790917) is 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ncc(Br)cn1.
What is the InChIKey of 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is AFGKVIBZMPWHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-9(2,14)6-13(3)8-11-4-7(10)5-12-8/h4-5,14H,6H2,1-3H3.
What are the key properties of 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 56790917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).