5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine

C11H18BrN3O — CID 80861307

IUPAC5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OC(C)(C)C)n1
InChIInChI=1S/C11H18BrN3O/c1-5-6-13-10-14-7-8(12)9(15-10)16-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyPKCPPYLDOWISAP-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.24
Rot. Bonds4

About 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine

5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine (PubChem CID 80861307) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
PubChem CID80861307
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OC(C)(C)C)n1
InChIInChI=1S/C11H18BrN3O/c1-5-6-13-10-14-7-8(12)9(15-10)16-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyPKCPPYLDOWISAP-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865636
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80880911
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806620
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine (CID 80861307) is 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(OC(C)(C)C)n1.
What is the InChIKey of 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine?
The InChIKey is PKCPPYLDOWISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-6-13-10-14-7-8(12)9(15-10)16-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine?
5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine has a molecular weight of 288.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80861307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).