3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol

C9H15BrN4O — CID 86802992

IUPAC3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol
SMILESCNc1nc(NCC(C)CO)ncc1Br
InChIInChI=1S/C9H15BrN4O/c1-6(5-15)3-12-9-13-4-7(10)8(11-2)14-9/h4,6,15H,3,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyVRGACDBELPCJRL-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.32
Rot. Bonds5

About 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol

3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 86802992) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID86802992
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol
SMILESCNc1nc(NCC(C)CO)ncc1Br
InChIInChI=1S/C9H15BrN4O/c1-6(5-15)3-12-9-13-4-7(10)8(11-2)14-9/h4,6,15H,3,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyVRGACDBELPCJRL-UHFFFAOYSA-N
XLogP1.32
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol (CID 86802992) is 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol is CNc1nc(NCC(C)CO)ncc1Br.
What is the InChIKey of 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is VRGACDBELPCJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-6(5-15)3-12-9-13-4-7(10)8(11-2)14-9/h4,6,15H,3,5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol?
3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 275.15 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 86802992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).