5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine

C10H16BrN3O — CID 65048689

IUPAC5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCOCC(Nc1ncc(Br)cn1)C(C)C
InChIInChI=1S/C10H16BrN3O/c1-7(2)9(6-15-3)14-10-12-4-8(11)5-13-10/h4-5,7,9H,6H2,1-3H3,(H,12,13,14)
InChIKeyPINNAWNAQAUALT-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.32
Rot. Bonds5

About 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine (PubChem CID 65048689) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
PubChem CID65048689
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCOCC(Nc1ncc(Br)cn1)C(C)C
InChIInChI=1S/C10H16BrN3O/c1-7(2)9(6-15-3)14-10-12-4-8(11)5-13-10/h4-5,7,9H,6H2,1-3H3,(H,12,13,14)
InChIKeyPINNAWNAQAUALT-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine (CID 65048689) is 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine is COCC(Nc1ncc(Br)cn1)C(C)C.
What is the InChIKey of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is PINNAWNAQAUALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(2)9(6-15-3)14-10-12-4-8(11)5-13-10/h4-5,7,9H,6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine?
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 274.16 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 65048689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).