2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine

C9H14ClN3O — CID 130545438

IUPAC2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(OC)ncc1Cl
InChIInChI=1S/C9H14ClN3O/c1-4-9(2,11)7-6(10)5-12-8(13-7)14-3/h5H,4,11H2,1-3H3
InChIKeyGPKKAHYKLAWJIH-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.72
Rot. Bonds3

About 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine

2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine (PubChem CID 130545438) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine
PubChem CID130545438
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(OC)ncc1Cl
InChIInChI=1S/C9H14ClN3O/c1-4-9(2,11)7-6(10)5-12-8(13-7)14-3/h5H,4,11H2,1-3H3
InChIKeyGPKKAHYKLAWJIH-UHFFFAOYSA-N
XLogP1.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine?
The IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine (CID 130545438) is 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine is CCC(C)(N)c1nc(OC)ncc1Cl.
What is the InChIKey of 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine?
The InChIKey is GPKKAHYKLAWJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-4-9(2,11)7-6(10)5-12-8(13-7)14-3/h5H,4,11H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine?
2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine has a molecular weight of 215.68 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 130545438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).