5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine

C11H18BrN3O — CID 116776732

IUPAC5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCc1nc(C(C)(CC)OC)nc(N)c1Br
InChIInChI=1S/C11H18BrN3O/c1-5-7-8(12)9(13)15-10(14-7)11(3,6-2)16-4/h5-6H2,1-4H3,(H2,13,14,15)
InChIKeyMQALDNBNSGYRGS-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.66
Rot. Bonds4

About 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine

5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine (PubChem CID 116776732) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
PubChem CID116776732
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCc1nc(C(C)(CC)OC)nc(N)c1Br
InChIInChI=1S/C11H18BrN3O/c1-5-7-8(12)9(13)15-10(14-7)11(3,6-2)16-4/h5-6H2,1-4H3,(H2,13,14,15)
InChIKeyMQALDNBNSGYRGS-UHFFFAOYSA-N
XLogP2.66
TPSA61.03 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine (CID 116776732) is 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine is CCc1nc(C(C)(CC)OC)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
The InChIKey is MQALDNBNSGYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-7-8(12)9(13)15-10(14-7)11(3,6-2)16-4/h5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine?
5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine has a molecular weight of 288.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 116776732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).