4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol

C11H19BrN4O — CID 114072688

IUPAC4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCNc1ncnc(NC(C)CC(C)O)c1Br
InChIInChI=1S/C11H19BrN4O/c1-4-13-10-9(12)11(15-6-14-10)16-7(2)5-8(3)17/h6-8,17H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyGEYITEFKCGCMKY-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.24
Rot. Bonds6

About 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol

4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 114072688) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID114072688
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCNc1ncnc(NC(C)CC(C)O)c1Br
InChIInChI=1S/C11H19BrN4O/c1-4-13-10-9(12)11(15-6-14-10)16-7(2)5-8(3)17/h6-8,17H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyGEYITEFKCGCMKY-UHFFFAOYSA-N
XLogP2.24
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 114072688) is 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol is CCNc1ncnc(NC(C)CC(C)O)c1Br.
What is the InChIKey of 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is GEYITEFKCGCMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-4-13-10-9(12)11(15-6-14-10)16-7(2)5-8(3)17/h6-8,17H,4-5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 303.20 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 114072688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).