5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine

C13H18BrN5O — CID 116806620

IUPAC5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H18BrN5O/c1-4-5-15-13-16-7-11(14)12(18-13)20-10-6-17-19(8-10)9(2)3/h6-9H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyNFOIDVIGUMEEMK-UHFFFAOYSA-N
MW340.23 g/mol
LogP3.63
Rot. Bonds6

About 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine

5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine (PubChem CID 116806620) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
PubChem CID116806620
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H18BrN5O/c1-4-5-15-13-16-7-11(14)12(18-13)20-10-6-17-19(8-10)9(2)3/h6-9H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyNFOIDVIGUMEEMK-UHFFFAOYSA-N
XLogP3.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine
CID 116806928
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
CID 80861307
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
5-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyridin-3-amine
CID 116806496
N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine
CID 116806444
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine (CID 116806620) is 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(Oc2cnn(C(C)C)c2)n1.
What is the InChIKey of 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The InChIKey is NFOIDVIGUMEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-4-5-15-13-16-7-11(14)12(18-13)20-10-6-17-19(8-10)9(2)3/h6-9H,4-5H2,1-3H3,(H,15,16,18).
What are the key properties of 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine has a molecular weight of 340.23 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 116806620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).