2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol

C9H15BrN4O — CID 80779857

IUPAC2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1ncc(Br)c(NC(C)CO)n1
InChIInChI=1S/C9H15BrN4O/c1-3-11-9-12-4-7(10)8(14-9)13-6(2)5-15/h4,6,15H,3,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyXYYUEKIXVCIHBU-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.46
Rot. Bonds5

About 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80779857) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80779857
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1ncc(Br)c(NC(C)CO)n1
InChIInChI=1S/C9H15BrN4O/c1-3-11-9-12-4-7(10)8(14-9)13-6(2)5-15/h4,6,15H,3,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyXYYUEKIXVCIHBU-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
2-[[5-bromo-2-(4-methylsulfanylanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 67156567
5-bromo-4-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyrimidine-2,4-diamine
CID 82949363
5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80781022
5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 106390355
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
5-[[5-bromo-4-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 58891290

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80779857) is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol is CCNc1ncc(Br)c(NC(C)CO)n1.
What is the InChIKey of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is XYYUEKIXVCIHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-3-11-9-12-4-7(10)8(14-9)13-6(2)5-15/h4,6,15H,3,5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol?
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 275.15 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80779857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).