1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine

C9H14ClN3O2 — CID 80752764

IUPAC1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
SMILESCOc1ncc(Cl)c(OCC(C)(C)N)n1
InChIInChI=1S/C9H14ClN3O2/c1-9(2,11)5-15-7-6(10)4-12-8(13-7)14-3/h4H,5,11H2,1-3H3
InChIKeyHNZPXZPHOFGZDQ-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.25
Rot. Bonds4

About 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine

1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine (PubChem CID 80752764) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
PubChem CID80752764
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
SMILESCOc1ncc(Cl)c(OCC(C)(C)N)n1
InChIInChI=1S/C9H14ClN3O2/c1-9(2,11)5-15-7-6(10)4-12-8(13-7)14-3/h4H,5,11H2,1-3H3
InChIKeyHNZPXZPHOFGZDQ-UHFFFAOYSA-N
XLogP1.25
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine (CID 80752764) is 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine is COc1ncc(Cl)c(OCC(C)(C)N)n1.
What is the InChIKey of 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine?
The InChIKey is HNZPXZPHOFGZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-9(2,11)5-15-7-6(10)4-12-8(13-7)14-3/h4H,5,11H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine?
1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine has a molecular weight of 231.68 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine is sourced from PubChem (CID 80752764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).