3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C11H18BrN3O — CID 106352561

IUPAC3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1nc(Br)cc(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H18BrN3O/c1-7(2)9(4-5-16)15-11-6-10(12)13-8(3)14-11/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyAFZIFKKPJLEFRH-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.37
Rot. Bonds5

About 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106352561) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106352561
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1nc(Br)cc(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H18BrN3O/c1-7(2)9(4-5-16)15-11-6-10(12)13-8(3)14-11/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyAFZIFKKPJLEFRH-UHFFFAOYSA-N
XLogP2.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177062
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
CID 106357683
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348219
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358096

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106352561) is 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is Cc1nc(Br)cc(NC(CCO)C(C)C)n1.
What is the InChIKey of 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is AFZIFKKPJLEFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-7(2)9(4-5-16)15-11-6-10(12)13-8(3)14-11/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106352561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).